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

Systemtic Name: 2-[(4-azanyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-chloranyl-4-cyano-phenyl)ethanamide Openeye Name: 2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-chloro-4-cyano-phenyl)acetamide CAS Name: 2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)thio]-N-(3-chloro-4-cyanophenyl)acetamide IUPAC Name: 2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-chloro-4-cyanophenyl)acetamide Traditional Name: 2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)thio]-N-(3-chloro-4-cyano-phenyl)acetamide Formula: C14H13ClN6OS MolecularWeight: 348.81062

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NN=C(N2N)SCC(=O)NC3=CC(=C(C=C3)C#N)Cl

Isomeric SMILES

C1CC1C2=NN=C(N2N)SCC(=O)NC3=CC(=C(C=C3)C#N)Cl

InChI

InChI=1S/C14H13ClN6OS/c15-11-5-10(4-3-9(11)6-16)18-12(22)7-23-14-20-19-13(21(14)17)8-1-2-8/h3-5,8H,1-2,7,17H2,(H,18,22)