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

Systemtic Name: 2-[[4-azanyl-5-(2-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-methylphenyl)ethanamide Openeye Name: 2-[[4-amino-5-(2-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(m-tolyl)acetamide CAS Name: 2-[[4-amino-5-(2-chlorophenyl)-1,2,4-triazol-3-yl]thio]-N-(3-methylphenyl)acetamide IUPAC Name: 2-[[4-amino-5-(2-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-methylphenyl)acetamide Traditional Name: 2-[[4-amino-5-(2-chlorophenyl)-1,2,4-triazol-3-yl]thio]-N-(m-tolyl)acetamide Formula: C17H16ClN5OS MolecularWeight: 373.85984

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)CSC2=NN=C(N2N)C3=CC=CC=C3Cl

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)CSC2=NN=C(N2N)C3=CC=CC=C3Cl

InChI

InChI=1S/C17H16ClN5OS/c1-11-5-4-6-12(9-11)20-15(24)10-25-17-22-21-16(23(17)19)13-7-2-3-8-14(13)18/h2-9H,10,19H2,1H3,(H,20,24)