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

Systemtic Name: 2-[5-methylsulfanyl-3-[(E)-(phenylmethylidene)amino]-1,2,4-triazol-1-yl]ethanenitrile Openeye Name: 2-[3-[(E)-benzylideneamino]-5-methylsulfanyl-1,2,4-triazol-1-yl]acetonitrile CAS Name: 2-[5-(methylthio)-3-[(E)-(phenylmethylene)amino]-1,2,4-triazol-1-yl]acetonitrile IUPAC Name: 2-[3-[(E)-benzylideneamino]-5-methylsulfanyl-1,2,4-triazol-1-yl]acetonitrile Traditional Name: 2-[3-[(E)-benzalamino]-5-(methylthio)-1,2,4-triazol-1-yl]acetonitrile Formula: C12H11N5S MolecularWeight: 257.31424

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC(=NN1CC#N)N=CC2=CC=CC=C2

Isomeric SMILES

CSC1=NC(=NN1CC#N)/N=C/C2=CC=CC=C2

InChI

InChI=1S/C12H11N5S/c1-18-12-15-11(16-17(12)8-7-13)14-9-10-5-3-2-4-6-10/h2-6,9H,8H2,1H3/b14-9+