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

Systemtic Name: 2-[[4-azanyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanenitrile Openeye Name: 2-[(4-amino-5-benzyl-1,2,4-triazol-3-yl)sulfanyl]acetonitrile CAS Name: 2-[[4-amino-5-(phenylmethyl)-1,2,4-triazol-3-yl]thio]acetonitrile IUPAC Name: 2-[(4-amino-5-benzyl-1,2,4-triazol-3-yl)sulfanyl]acetonitrile Traditional Name: 2-[(4-amino-5-benzyl-1,2,4-triazol-3-yl)thio]acetonitrile Formula: C11H11N5S MolecularWeight: 245.30354

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=NN=C(N2N)SCC#N

Isomeric SMILES

C1=CC=C(C=C1)CC2=NN=C(N2N)SCC#N

InChI

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