N-[(S)-(4-methoxyphenyl)-phenyl-methyl]-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide

Systemtic Name: N-[(S)-(4-methoxyphenyl)-phenyl-methyl]-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide Openeye Name: N-[(S)-(4-methoxyphenyl)-phenyl-methyl]-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide CAS Name: N-[(S)-(4-methoxyphenyl)-phenylmethyl]-4-[(1H-1,2,4-triazol-5-ylthio)methyl]benzamide IUPAC Name: N-[(S)-(4-methoxyphenyl)-phenylmethyl]-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide Traditional Name: N-[(S)-(4-methoxyphenyl)-phenyl-methyl]-4-[(1H-1,2,4-triazol-5-ylthio)methyl]benzamide Formula: C24H22N4O2S MolecularWeight: 430.52208

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(C2=CC=CC=C2)NC(=O)C3=CC=C(C=C3)CSC4=NC=NN4

Isomeric SMILES

COC1=CC=C(C=C1)[C@H](C2=CC=CC=C2)NC(=O)C3=CC=C(C=C3)CSC4=NC=NN4

InChI

InChI=1S/C24H22N4O2S/c1-30-21-13-11-19(12-14-21)22(18-5-3-2-4-6-18)27-23(29)20-9-7-17(8-10-20)15-31-24-25-16-26-28-24/h2-14,16,22H,15H2,1H3,(H,27,29)(H,25,26,28)/t22-/m0/s1