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

Systemtic Name: 2-[4-oxidanylidene-3-(1H-1,2,4-triazol-5-yl)quinazolin-2-yl]sulfanyl-N-[(1S)-1-phenylethyl]ethanamide Openeye Name: 2-[4-oxo-3-(1H-1,2,4-triazol-5-yl)quinazolin-2-yl]sulfanyl-N-[(1S)-1-phenylethyl]acetamide CAS Name: 2-[[4-oxo-3-(1H-1,2,4-triazol-5-yl)-2-quinazolinyl]thio]-N-[(1S)-1-phenylethyl]acetamide IUPAC Name: 2-[4-oxo-3-(1H-1,2,4-triazol-5-yl)quinazolin-2-yl]sulfanyl-N-[(1S)-1-phenylethyl]acetamide Traditional Name: 2-[[4-keto-3-(1H-1,2,4-triazol-5-yl)quinazolin-2-yl]thio]-N-[(1S)-1-phenylethyl]acetamide Formula: C20H18N6O2S MolecularWeight: 406.46092

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=NC=NN4

Isomeric SMILES

C[C@@H](C1=CC=CC=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=NC=NN4

InChI

InChI=1S/C20H18N6O2S/c1-13(14-7-3-2-4-8-14)23-17(27)11-29-20-24-16-10-6-5-9-15(16)18(28)26(20)19-21-12-22-25-19/h2-10,12-13H,11H2,1H3,(H,23,27)(H,21,22,25)/t13-/m0/s1