2-[3-azanyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-4-yl]ethanenitrile

Systemtic Name: 2-[3-azanyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-4-yl]ethanenitrile Openeye Name: 2-(3-amino-5-benzylsulfanyl-1,2,4-triazol-4-yl)acetonitrile CAS Name: 2-[3-amino-5-(phenylmethylthio)-1,2,4-triazol-4-yl]acetonitrile IUPAC Name: 2-(3-amino-5-benzylsulfanyl-1,2,4-triazol-4-yl)acetonitrile Traditional Name: 2-[3-amino-5-(benzylthio)-1,2,4-triazol-4-yl]acetonitrile Formula: C11H11N5S MolecularWeight: 245.30354

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NN=C(N2CC#N)N

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NN=C(N2CC#N)N

InChI

InChI=1S/C11H11N5S/c12-6-7-16-10(13)14-15-11(16)17-8-9-4-2-1-3-5-9/h1-5H,7-8H2,(H2,13,14)