1-(4-methoxyphenyl)-3-[[5-[(3-methoxyphenyl)methylsulfanyl]-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]methyl]urea

Systemtic Name: 1-(4-methoxyphenyl)-3-[[5-[(3-methoxyphenyl)methylsulfanyl]-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]methyl]urea Openeye Name: 1-(4-methoxyphenyl)-3-[[5-[(3-methoxyphenyl)methylsulfanyl]-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]methyl]urea CAS Name: 1-(4-methoxyphenyl)-3-[[5-[(3-methoxyphenyl)methylthio]-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]methyl]urea IUPAC Name: 1-(4-methoxyphenyl)-3-[[5-[(3-methoxyphenyl)methylsulfanyl]-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]methyl]urea Traditional Name: 1-[[5-(m-anisylthio)-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]methyl]-3-(4-methoxyphenyl)urea Formula: C25H24N6O5S MolecularWeight: 520.56026

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=O)NCC2=NN=C(N2C3=CC=C(C=C3)[N+](=O)[O-])SCC4=CC(=CC=C4)OC

Isomeric SMILES

COC1=CC=C(C=C1)NC(=O)NCC2=NN=C(N2C3=CC=C(C=C3)[N+](=O)[O-])SCC4=CC(=CC=C4)OC

InChI

InChI=1S/C25H24N6O5S/c1-35-21-12-6-18(7-13-21)27-24(32)26-15-23-28-29-25(37-16-17-4-3-5-22(14-17)36-2)30(23)19-8-10-20(11-9-19)31(33)34/h3-14H,15-16H2,1-2H3,(H2,26,27,32)