3-[5-methylsulfanyl-3-[(E)-(phenylmethylidene)amino]-1,2,4-triazol-1-yl]propanenitrile

Systemtic Name: 3-[5-methylsulfanyl-3-[(E)-(phenylmethylidene)amino]-1,2,4-triazol-1-yl]propanenitrile Openeye Name: 3-[3-[(E)-benzylideneamino]-5-methylsulfanyl-1,2,4-triazol-1-yl]propanenitrile CAS Name: 3-[5-(methylthio)-3-[(E)-(phenylmethylene)amino]-1,2,4-triazol-1-yl]propanenitrile IUPAC Name: 3-[3-[(E)-benzylideneamino]-5-methylsulfanyl-1,2,4-triazol-1-yl]propanenitrile Traditional Name: 3-[3-[(E)-benzalamino]-5-(methylthio)-1,2,4-triazol-1-yl]propionitrile Formula: C13H13N5S MolecularWeight: 271.34082

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC(=NN1CCC#N)N=CC2=CC=CC=C2

Isomeric SMILES

CSC1=NC(=NN1CCC#N)/N=C/C2=CC=CC=C2

InChI

InChI=1S/C13H13N5S/c1-19-13-16-12(17-18(13)9-5-8-14)15-10-11-6-3-2-4-7-11/h2-4,6-7,10H,5,9H2,1H3/b15-10+