benzenethiol; 2-(1,2,4-triazol-1-yl)butanenitrile

Systemtic Name: benzenethiol; 2-(1,2,4-triazol-1-yl)butanenitrile Openeye Name: benzenethiol; 2-(1,2,4-triazol-1-yl)butanenitrile CAS Name: benzenethiol; 2-(1,2,4-triazol-1-yl)butanenitrile IUPAC Name: benzenethiol; 2-(1,2,4-triazol-1-yl)butanenitrile Traditional Name: benzenethiol; 2-(1,2,4-triazol-1-yl)butyronitrile Formula: C12H14N4S MolecularWeight: 246.33136

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C#N)N1C=NC=N1.C1=CC=C(C=C1)S

Isomeric SMILES

CCC(C#N)N1C=NC=N1.C1=CC=C(C=C1)S

InChI

InChI=1S/C6H8N4.C6H6S/c1-2-6(3-7)10-5-8-4-9-10;7-6-4-2-1-3-5-6/h4-6H,2H2,1H3;1-5,7H