2-[(5-ethyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]ethanenitrile

Systemtic Name: 2-[(5-ethyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]ethanenitrile Openeye Name: 2-[(4-allyl-5-ethyl-1,2,4-triazol-3-yl)sulfanyl]acetonitrile CAS Name: 2-[(5-ethyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]acetonitrile IUPAC Name: 2-[(5-ethyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]acetonitrile Traditional Name: 2-[(4-allyl-5-ethyl-1,2,4-triazol-3-yl)thio]acetonitrile Formula: C9H12N4S MolecularWeight: 208.28338

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN=C(N1CC=C)SCC#N

Isomeric SMILES

CCC1=NN=C(N1CC=C)SCC#N

InChI

InChI=1S/C9H12N4S/c1-3-6-13-8(4-2)11-12-9(13)14-7-5-10/h3H,1,4,6-7H2,2H3