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

Systemtic Name: 2-[(4-azanyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-cyanophenyl)ethanamide Openeye Name: 2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-cyanophenyl)acetamide CAS Name: 2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)thio]-N-(4-cyanophenyl)acetamide IUPAC Name: 2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-cyanophenyl)acetamide Traditional Name: 2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)thio]-N-(4-cyanophenyl)acetamide Formula: C14H14N6OS MolecularWeight: 314.36556

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H14N6OS/c15-7-9-1-5-11(6-2-9)17-12(21)8-22-14-19-18-13(20(14)16)10-3-4-10/h1-2,5-6,10H,3-4,8,16H2,(H,17,21)