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2-[(5-oxidanylidene-4-phenethyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanenitrile

2-[(5-oxidanylidene-4-phenethyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanenitrile

Systemtic Name:2-[(5-oxidanylidene-4-phenethyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanenitrile
Openeye Name:2-[(5-oxo-4-phenethyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetonitrile
CAS Name:2-[(5-oxo-4-phenethyl-1H-1,2,4-triazol-3-yl)thio]acetonitrile
IUPAC Name:2-[(5-oxo-4-phenethyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetonitrile
Traditional Name:2-[(5-keto-4-phenethyl-1H-1,2,4-triazol-3-yl)thio]acetonitrile
Formula: C12H12N4OS
MolecularWeight: 260.31488
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN2C(=O)NN=C2SCC#N


Isomeric SMILES

C1=CC=C(C=C1)CCN2C(=O)NN=C2SCC#N


InChI

InChI=1S/C12H12N4OS/c13-7-9-18-12-15-14-11(17)16(12)8-6-10-4-2-1-3-5-10/h1-5H,6,8-9H2,(H,14,17)


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