N-[[4-(4-ethoxyphenyl)-5-(1-phenylethylsulfanyl)-1,2,4-triazol-3-yl]methyl]-4-methoxy-benzamide

Systemtic Name: N-[[4-(4-ethoxyphenyl)-5-(1-phenylethylsulfanyl)-1,2,4-triazol-3-yl]methyl]-4-methoxy-benzamide Openeye Name: N-[[4-(4-ethoxyphenyl)-5-(1-phenylethylsulfanyl)-1,2,4-triazol-3-yl]methyl]-4-methoxy-benzamide CAS Name: N-[[4-(4-ethoxyphenyl)-5-(1-phenylethylthio)-1,2,4-triazol-3-yl]methyl]-4-methoxybenzamide IUPAC Name: N-[[4-(4-ethoxyphenyl)-5-(1-phenylethylsulfanyl)-1,2,4-triazol-3-yl]methyl]-4-methoxybenzamide Traditional Name: 4-methoxy-N-[[5-(1-phenylethylthio)-4-p-phenetyl-1,2,4-triazol-3-yl]methyl]benzamide Formula: C27H28N4O3S MolecularWeight: 488.60122

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=NN=C2SC(C)C3=CC=CC=C3)CNC(=O)C4=CC=C(C=C4)OC

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=NN=C2SC(C)C3=CC=CC=C3)CNC(=O)C4=CC=C(C=C4)OC

InChI

InChI=1S/C27H28N4O3S/c1-4-34-24-16-12-22(13-17-24)31-25(18-28-26(32)21-10-14-23(33-3)15-11-21)29-30-27(31)35-19(2)20-8-6-5-7-9-20/h5-17,19H,4,18H2,1-3H3,(H,28,32)