N-(diphenylmethyl)-2-[[4-(phenylmethyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: N-(diphenylmethyl)-2-[[4-(phenylmethyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-benzhydryl-2-[[4-benzyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(diphenylmethyl)-2-[[4-(phenylmethyl)-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-benzhydryl-2-[(4-benzyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-benzhydryl-2-[[4-benzyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C29H25N5OS MolecularWeight: 491.6067

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=NN=C2SCC(=O)NC(C3=CC=CC=C3)C4=CC=CC=C4)C5=CN=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=NN=C2SCC(=O)NC(C3=CC=CC=C3)C4=CC=CC=C4)C5=CN=CC=C5

InChI

InChI=1S/C29H25N5OS/c35-26(31-27(23-13-6-2-7-14-23)24-15-8-3-9-16-24)21-36-29-33-32-28(25-17-10-18-30-19-25)34(29)20-22-11-4-1-5-12-22/h1-19,27H,20-21H2,(H,31,35)