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

Systemtic Name: 3-[[4-oxidanylidene-3-(1H-1,2,4-triazol-5-yl)quinazolin-2-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 3-[[4-oxo-3-(1H-1,2,4-triazol-5-yl)quinazolin-2-yl]sulfanylmethyl]benzonitrile CAS Name: 3-[[[4-oxo-3-(1H-1,2,4-triazol-5-yl)-2-quinazolinyl]thio]methyl]benzonitrile IUPAC Name: 3-[[4-oxo-3-(1H-1,2,4-triazol-5-yl)quinazolin-2-yl]sulfanylmethyl]benzonitrile Traditional Name: 3-[[[4-keto-3-(1H-1,2,4-triazol-5-yl)quinazolin-2-yl]thio]methyl]benzonitrile Formula: C18H12N6OS MolecularWeight: 360.39248

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C(=N2)SCC3=CC=CC(=C3)C#N)C4=NC=NN4

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C(=N2)SCC3=CC=CC(=C3)C#N)C4=NC=NN4

InChI

InChI=1S/C18H12N6OS/c19-9-12-4-3-5-13(8-12)10-26-18-22-15-7-2-1-6-14(15)16(25)24(18)17-20-11-21-23-17/h1-8,11H,10H2,(H,20,21,23)