(2S)-N-cyclopropyl-2-[4-oxidanylidene-3-(1H-1,2,4-triazol-5-yl)quinazolin-2-yl]sulfanyl-propanamide

Systemtic Name: (2S)-N-cyclopropyl-2-[4-oxidanylidene-3-(1H-1,2,4-triazol-5-yl)quinazolin-2-yl]sulfanyl-propanamide Openeye Name: (2S)-N-cyclopropyl-2-[4-oxo-3-(1H-1,2,4-triazol-5-yl)quinazolin-2-yl]sulfanyl-propanamide CAS Name: (2S)-N-cyclopropyl-2-[[4-oxo-3-(1H-1,2,4-triazol-5-yl)-2-quinazolinyl]thio]propanamide IUPAC Name: (2S)-N-cyclopropyl-2-[4-oxo-3-(1H-1,2,4-triazol-5-yl)quinazolin-2-yl]sulfanylpropanamide Traditional Name: (2S)-N-cyclopropyl-2-[[4-keto-3-(1H-1,2,4-triazol-5-yl)quinazolin-2-yl]thio]propionamide Formula: C16H16N6O2S MolecularWeight: 356.40224

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CC1)SC2=NC3=CC=CC=C3C(=O)N2C4=NC=NN4

Isomeric SMILES

C[C@@H](C(=O)NC1CC1)SC2=NC3=CC=CC=C3C(=O)N2C4=NC=NN4

InChI

InChI=1S/C16H16N6O2S/c1-9(13(23)19-10-6-7-10)25-16-20-12-5-3-2-4-11(12)14(24)22(16)15-17-8-18-21-15/h2-5,8-10H,6-7H2,1H3,(H,19,23)(H,17,18,21)/t9-/m0/s1