2-[(4-prop-2-enyl-5-quinolin-6-yl-1,2,4-triazol-3-yl)sulfanyl]ethanenitrile

Systemtic Name: 2-[(4-prop-2-enyl-5-quinolin-6-yl-1,2,4-triazol-3-yl)sulfanyl]ethanenitrile Openeye Name: 2-[[4-allyl-5-(6-quinolyl)-1,2,4-triazol-3-yl]sulfanyl]acetonitrile CAS Name: 2-[[4-prop-2-enyl-5-(6-quinolinyl)-1,2,4-triazol-3-yl]thio]acetonitrile IUPAC Name: 2-[(4-prop-2-enyl-5-quinolin-6-yl-1,2,4-triazol-3-yl)sulfanyl]acetonitrile Traditional Name: 2-[[4-allyl-5-(6-quinolyl)-1,2,4-triazol-3-yl]thio]acetonitrile Formula: C16H13N5S MolecularWeight: 307.37292

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC#N)C2=CC3=C(C=C2)N=CC=C3

Isomeric SMILES

C=CCN1C(=NN=C1SCC#N)C2=CC3=C(C=C2)N=CC=C3

InChI

InChI=1S/C16H13N5S/c1-2-9-21-15(19-20-16(21)22-10-7-17)13-5-6-14-12(11-13)4-3-8-18-14/h2-6,8,11H,1,9-10H2