4-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]benzenecarbonitrile

Systemtic Name: 4-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]benzenecarbonitrile Openeye Name: 4-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]benzonitrile CAS Name: 4-[2-[(4-methyl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]benzonitrile IUPAC Name: 4-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]benzonitrile Traditional Name: 4-[2-[(4-methyl-1,2,4-triazol-3-yl)thio]acetyl]benzonitrile Formula: C12H10N4OS MolecularWeight: 258.299

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NN=C1SCC(=O)C2=CC=C(C=C2)C#N

Isomeric SMILES

CN1C=NN=C1SCC(=O)C2=CC=C(C=C2)C#N

InChI

InChI=1S/C12H10N4OS/c1-16-8-14-15-12(16)18-7-11(17)10-4-2-9(6-13)3-5-10/h2-5,8H,7H2,1H3