2-[3-azanyl-5-(cyanomethylsulfanyl)-1,2,4-triazol-4-yl]-N-(4-phenylazanylphenyl)ethanamide

Systemtic Name: 2-[3-azanyl-5-(cyanomethylsulfanyl)-1,2,4-triazol-4-yl]-N-(4-phenylazanylphenyl)ethanamide Openeye Name: 2-[3-amino-5-(cyanomethylsulfanyl)-1,2,4-triazol-4-yl]-N-(4-anilinophenyl)acetamide CAS Name: 2-[3-amino-5-(cyanomethylthio)-1,2,4-triazol-4-yl]-N-(4-anilinophenyl)acetamide IUPAC Name: 2-[3-amino-5-(cyanomethylsulfanyl)-1,2,4-triazol-4-yl]-N-(4-anilinophenyl)acetamide Traditional Name: 2-[3-amino-5-(cyanomethylthio)-1,2,4-triazol-4-yl]-N-(4-anilinophenyl)acetamide Formula: C18H17N7OS MolecularWeight: 379.43888

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC2=CC=C(C=C2)NC(=O)CN3C(=NN=C3SCC#N)N

Isomeric SMILES

C1=CC=C(C=C1)NC2=CC=C(C=C2)NC(=O)CN3C(=NN=C3SCC#N)N

InChI

InChI=1S/C18H17N7OS/c19-10-11-27-18-24-23-17(20)25(18)12-16(26)22-15-8-6-14(7-9-15)21-13-4-2-1-3-5-13/h1-9,21H,11-12H2,(H2,20,23)(H,22,26)