2-[(4-azanyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-methylphenyl)-N-(phenylmethyl)ethanamide

Systemtic Name: 2-[(4-azanyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-methylphenyl)-N-(phenylmethyl)ethanamide Openeye Name: 2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-benzyl-N-(m-tolyl)acetamide CAS Name: 2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)thio]-N-(3-methylphenyl)-N-(phenylmethyl)acetamide IUPAC Name: 2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-benzyl-N-(3-methylphenyl)acetamide Traditional Name: 2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)thio]-N-benzyl-N-(m-tolyl)acetamide Formula: C21H23N5OS MolecularWeight: 393.50522

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N(CC2=CC=CC=C2)C(=O)CSC3=NN=C(N3N)C4CC4

Isomeric SMILES

CC1=CC(=CC=C1)N(CC2=CC=CC=C2)C(=O)CSC3=NN=C(N3N)C4CC4

InChI

InChI=1S/C21H23N5OS/c1-15-6-5-9-18(12-15)25(13-16-7-3-2-4-8-16)19(27)14-28-21-24-23-20(26(21)22)17-10-11-17/h2-9,12,17H,10-11,13-14,22H2,1H3