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

Systemtic Name: 2-[4-[[4-(3-methoxypropyl)-5-oxidanylidene-1H-1,2,4-triazol-3-yl]sulfanylmethyl]phenyl]benzenecarbonitrile Openeye Name: 2-[4-[[4-(3-methoxypropyl)-5-oxo-1H-1,2,4-triazol-3-yl]sulfanylmethyl]phenyl]benzonitrile CAS Name: 2-[4-[[[4-(3-methoxypropyl)-5-oxo-1H-1,2,4-triazol-3-yl]thio]methyl]phenyl]benzonitrile IUPAC Name: 2-[4-[[4-(3-methoxypropyl)-5-oxo-1H-1,2,4-triazol-3-yl]sulfanylmethyl]phenyl]benzonitrile Traditional Name: 2-[4-[[[5-keto-4-(3-methoxypropyl)-1H-1,2,4-triazol-3-yl]thio]methyl]phenyl]benzonitrile Formula: C20H20N4O2S MolecularWeight: 380.4634

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Descriptors Computed from Structure

Canonical SMILES:

COCCCN1C(=O)NN=C1SCC2=CC=C(C=C2)C3=CC=CC=C3C#N

Isomeric SMILES

COCCCN1C(=O)NN=C1SCC2=CC=C(C=C2)C3=CC=CC=C3C#N

InChI

InChI=1S/C20H20N4O2S/c1-26-12-4-11-24-19(25)22-23-20(24)27-14-15-7-9-16(10-8-15)18-6-3-2-5-17(18)13-21/h2-3,5-10H,4,11-12,14H2,1H3,(H,22,25)