[1-[[3-(3-methoxyphenyl)-4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]piperidin-4-yl]-pyrrolidin-1-yl-methanone

Systemtic Name: [1-[[3-(3-methoxyphenyl)-4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]piperidin-4-yl]-pyrrolidin-1-yl-methanone Openeye Name: [1-[[3-(3-methoxyphenyl)-4-phenyl-5-thioxo-1,2,4-triazol-1-yl]methyl]-4-piperidyl]-pyrrolidin-1-yl-methanone CAS Name: [1-[[3-(3-methoxyphenyl)-4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]-4-piperidinyl]-(1-pyrrolidinyl)methanone IUPAC Name: [1-[[3-(3-methoxyphenyl)-4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone Traditional Name: [1-[[3-(3-methoxyphenyl)-4-phenyl-5-thioxo-1,2,4-triazol-1-yl]methyl]-4-piperidyl]-pyrrolidino-methanone Formula: C26H31N5O2S MolecularWeight: 477.62164

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=NN(C(=S)N2C3=CC=CC=C3)CN4CCC(CC4)C(=O)N5CCCC5

Isomeric SMILES

COC1=CC=CC(=C1)C2=NN(C(=S)N2C3=CC=CC=C3)CN4CCC(CC4)C(=O)N5CCCC5

InChI

InChI=1S/C26H31N5O2S/c1-33-23-11-7-8-21(18-23)24-27-30(26(34)31(24)22-9-3-2-4-10-22)19-28-16-12-20(13-17-28)25(32)29-14-5-6-15-29/h2-4,7-11,18,20H,5-6,12-17,19H2,1H3