2-[4-[(5-oxidanylidene-4-propyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]phenyl]benzenecarbonitrile

Systemtic Name: 2-[4-[(5-oxidanylidene-4-propyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]phenyl]benzenecarbonitrile Openeye Name: 2-[4-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]phenyl]benzonitrile CAS Name: 2-[4-[[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)thio]methyl]phenyl]benzonitrile IUPAC Name: 2-[4-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]phenyl]benzonitrile Traditional Name: 2-[4-[[(5-keto-4-propyl-1H-1,2,4-triazol-3-yl)thio]methyl]phenyl]benzonitrile Formula: C19H18N4OS MolecularWeight: 350.43742

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)NN=C1SCC2=CC=C(C=C2)C3=CC=CC=C3C#N

Isomeric SMILES

CCCN1C(=O)NN=C1SCC2=CC=C(C=C2)C3=CC=CC=C3C#N

InChI

InChI=1S/C19H18N4OS/c1-2-11-23-18(24)21-22-19(23)25-13-14-7-9-15(10-8-14)17-6-4-3-5-16(17)12-20/h3-10H,2,11,13H2,1H3,(H,21,24)