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

Systemtic Name: N-(3-methylphenyl)-N-(phenylmethyl)-2-[(4-prop-2-enyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: 2-[[4-allyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-N-benzyl-N-(m-tolyl)acetamide CAS Name: N-(3-methylphenyl)-N-(phenylmethyl)-2-[[4-prop-2-enyl-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-benzyl-N-(3-methylphenyl)-2-[(4-prop-2-enyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: 2-[[4-allyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]-N-benzyl-N-(m-tolyl)acetamide Formula: C26H25N5OS MolecularWeight: 455.5746

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N(CC2=CC=CC=C2)C(=O)CSC3=NN=C(N3CC=C)C4=CN=CC=C4

Isomeric SMILES

CC1=CC(=CC=C1)N(CC2=CC=CC=C2)C(=O)CSC3=NN=C(N3CC=C)C4=CN=CC=C4

InChI

InChI=1S/C26H25N5OS/c1-3-15-30-25(22-12-8-14-27-17-22)28-29-26(30)33-19-24(32)31(18-21-10-5-4-6-11-21)23-13-7-9-20(2)16-23/h3-14,16-17H,1,15,18-19H2,2H3