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

Systemtic Name: 2-[(5-oxidanylidene-4-phenethyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]benzenecarbonitrile Openeye Name: 2-[(5-oxo-4-phenethyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]benzonitrile CAS Name: 2-[[(5-oxo-4-phenethyl-1H-1,2,4-triazol-3-yl)thio]methyl]benzonitrile IUPAC Name: 2-[(5-oxo-4-phenethyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]benzonitrile Traditional Name: 2-[[(5-keto-4-phenethyl-1H-1,2,4-triazol-3-yl)thio]methyl]benzonitrile Formula: C18H16N4OS MolecularWeight: 336.41084

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN2C(=O)NN=C2SCC3=CC=CC=C3C#N

Isomeric SMILES

C1=CC=C(C=C1)CCN2C(=O)NN=C2SCC3=CC=CC=C3C#N

InChI

InChI=1S/C18H16N4OS/c19-12-15-8-4-5-9-16(15)13-24-18-21-20-17(23)22(18)11-10-14-6-2-1-3-7-14/h1-9H,10-11,13H2,(H,20,23)