[2-[[5-(furan-2-yl)-4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-thiazol-4-yl]-[4-(4-nitrophenyl)piperazin-1-yl]methanone

Systemtic Name: [2-[[5-(furan-2-yl)-4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-thiazol-4-yl]-[4-(4-nitrophenyl)piperazin-1-yl]methanone Openeye Name: [2-[[5-(2-furyl)-4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]thiazol-4-yl]-[4-(4-nitrophenyl)piperazin-1-yl]methanone CAS Name: [2-[[[5-(2-furanyl)-4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]thio]methyl]-4-thiazolyl]-[4-(4-nitrophenyl)-1-piperazinyl]methanone IUPAC Name: [2-[[5-(furan-2-yl)-4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-thiazol-4-yl]-[4-(4-nitrophenyl)piperazin-1-yl]methanone Traditional Name: [2-[[[5-(2-furyl)-4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]thio]methyl]thiazol-4-yl]-[4-(4-nitrophenyl)piperazino]methanone Formula: C28H25N7O5S2 MolecularWeight: 603.672

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2C(=NN=C2SCC3=NC(=CS3)C(=O)N4CCN(CC4)C5=CC=C(C=C5)[N+](=O)[O-])C6=CC=CO6

Isomeric SMILES

COC1=CC=CC=C1N2C(=NN=C2SCC3=NC(=CS3)C(=O)N4CCN(CC4)C5=CC=C(C=C5)[N+](=O)[O-])C6=CC=CO6

InChI

InChI=1S/C28H25N7O5S2/c1-39-23-6-3-2-5-22(23)34-26(24-7-4-16-40-24)30-31-28(34)42-18-25-29-21(17-41-25)27(36)33-14-12-32(13-15-33)19-8-10-20(11-9-19)35(37)38/h2-11,16-17H,12-15,18H2,1H3