2-[(5-azanyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-chloranyl-2-methyl-phenyl)ethanamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC(=O)CSC2=NN=C(N2C3=CC=CC=C3)N

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(=O)CSC2=NN=C(N2C3=CC=CC=C3)N

InChI

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