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

Systemtic Name: 2-[(5-methyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]ethanenitrile Openeye Name: 2-[(4-allyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]acetonitrile CAS Name: 2-[(5-methyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]acetonitrile IUPAC Name: 2-[(5-methyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]acetonitrile Traditional Name: 2-[(4-allyl-5-methyl-1,2,4-triazol-3-yl)thio]acetonitrile Formula: C8H10N4S MolecularWeight: 194.2568

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1CC=C)SCC#N

Isomeric SMILES

CC1=NN=C(N1CC=C)SCC#N

InChI

InChI=1S/C8H10N4S/c1-3-5-12-7(2)10-11-8(12)13-6-4-9/h3H,1,5-6H2,2H3