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

Systemtic Name: (2S)-2-[4-oxidanylidene-3-(1H-1,2,4-triazol-5-yl)quinazolin-2-yl]sulfanylpropanenitrile Openeye Name: (2S)-2-[4-oxo-3-(1H-1,2,4-triazol-5-yl)quinazolin-2-yl]sulfanylpropanenitrile CAS Name: (2S)-2-[[4-oxo-3-(1H-1,2,4-triazol-5-yl)-2-quinazolinyl]thio]propanenitrile IUPAC Name: (2S)-2-[4-oxo-3-(1H-1,2,4-triazol-5-yl)quinazolin-2-yl]sulfanylpropanenitrile Traditional Name: (2S)-2-[[4-keto-3-(1H-1,2,4-triazol-5-yl)quinazolin-2-yl]thio]propionitrile Formula: C13H10N6OS MolecularWeight: 298.3231

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)SC1=NC2=CC=CC=C2C(=O)N1C3=NC=NN3

Isomeric SMILES

C[C@@H](C#N)SC1=NC2=CC=CC=C2C(=O)N1C3=NC=NN3

InChI

InChI=1S/C13H10N6OS/c1-8(6-14)21-13-17-10-5-3-2-4-9(10)11(20)19(13)12-15-7-16-18-12/h2-5,7-8H,1H3,(H,15,16,18)/t8-/m0/s1