N-[(4-chlorophenyl)-phenyl-methyl]-2-[(5-cyclopropyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide

Systemtic Name: N-[(4-chlorophenyl)-phenyl-methyl]-2-[(5-cyclopropyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: 2-[(4-allyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(4-chlorophenyl)-phenyl-methyl]acetamide CAS Name: N-[(4-chlorophenyl)-phenylmethyl]-2-[(5-cyclopropyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-[(4-chlorophenyl)-phenylmethyl]-2-[(5-cyclopropyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: 2-[(4-allyl-5-cyclopropyl-1,2,4-triazol-3-yl)thio]-N-[(4-chlorophenyl)-phenyl-methyl]acetamide Formula: C23H23ClN4OS MolecularWeight: 438.97292

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC(=O)NC(C2=CC=CC=C2)C3=CC=C(C=C3)Cl)C4CC4

Isomeric SMILES

C=CCN1C(=NN=C1SCC(=O)NC(C2=CC=CC=C2)C3=CC=C(C=C3)Cl)C4CC4

InChI

InChI=1S/C23H23ClN4OS/c1-2-14-28-22(18-8-9-18)26-27-23(28)30-15-20(29)25-21(16-6-4-3-5-7-16)17-10-12-19(24)13-11-17/h2-7,10-13,18,21H,1,8-9,14-15H2,(H,25,29)