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4-[2-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]benzenecarbonitrile

4-[2-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]benzenecarbonitrile

Systemtic Name:4-[2-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]benzenecarbonitrile
Openeye Name:4-[2-[(5-isopropyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]benzonitrile
CAS Name:4-[1-oxo-2-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)thio]ethyl]benzonitrile
IUPAC Name:4-[2-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]benzonitrile
Traditional Name:4-[2-[(5-isopropyl-1H-1,2,4-triazol-3-yl)thio]acetyl]benzonitrile
Formula: C14H14N4OS
MolecularWeight: 286.35216
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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC(=NN1)SCC(=O)C2=CC=C(C=C2)C#N


Isomeric SMILES

CC(C)C1=NC(=NN1)SCC(=O)C2=CC=C(C=C2)C#N


InChI

InChI=1S/C14H14N4OS/c1-9(2)13-16-14(18-17-13)20-8-12(19)11-5-3-10(7-15)4-6-11/h3-6,9H,8H2,1-2H3,(H,16,17,18)


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