N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)-4-oxidanylidene-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)-4-oxidanylidene-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: 3-allyl-N-[4-methyl-5-(2-pyridyl)thiazol-2-yl]-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: N-[4-methyl-5-(2-pyridinyl)-2-thiazolyl]-4-oxo-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)-4-oxo-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 3-allyl-4-keto-N-[4-methyl-5-(2-pyridyl)thiazol-2-yl]-2-thioxo-1H-quinazoline-7-carboxamide Formula: C21H17N5O2S2 MolecularWeight: 435.52198

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)CC=C)C4=CC=CC=N4

Isomeric SMILES

CC1=C(SC(=N1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)CC=C)C4=CC=CC=N4

InChI

InChI=1S/C21H17N5O2S2/c1-3-10-26-19(28)14-8-7-13(11-16(14)24-21(26)29)18(27)25-20-23-12(2)17(30-20)15-6-4-5-9-22-15/h3-9,11H,1,10H2,2H3,(H,24,29)(H,23,25,27)