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

Systemtic Name: (2S)-N-cycloheptyl-2-[4-oxidanylidene-3-(1H-1,2,4-triazol-5-yl)quinazolin-2-yl]sulfanyl-propanamide Openeye Name: (2S)-N-cycloheptyl-2-[4-oxo-3-(1H-1,2,4-triazol-5-yl)quinazolin-2-yl]sulfanyl-propanamide CAS Name: (2S)-N-cycloheptyl-2-[[4-oxo-3-(1H-1,2,4-triazol-5-yl)-2-quinazolinyl]thio]propanamide IUPAC Name: (2S)-N-cycloheptyl-2-[4-oxo-3-(1H-1,2,4-triazol-5-yl)quinazolin-2-yl]sulfanylpropanamide Traditional Name: (2S)-N-cycloheptyl-2-[[4-keto-3-(1H-1,2,4-triazol-5-yl)quinazolin-2-yl]thio]propionamide Formula: C20H24N6O2S MolecularWeight: 412.50856

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CCCCCC1)SC2=NC3=CC=CC=C3C(=O)N2C4=NC=NN4

Isomeric SMILES

C[C@@H](C(=O)NC1CCCCCC1)SC2=NC3=CC=CC=C3C(=O)N2C4=NC=NN4

InChI

InChI=1S/C20H24N6O2S/c1-13(17(27)23-14-8-4-2-3-5-9-14)29-20-24-16-11-7-6-10-15(16)18(28)26(20)19-21-12-22-25-19/h6-7,10-14H,2-5,8-9H2,1H3,(H,23,27)(H,21,22,25)/t13-/m0/s1