N-(5-methylpyridin-2-yl)-4-oxidanylidene-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: N-(5-methylpyridin-2-yl)-4-oxidanylidene-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: 3-allyl-N-(5-methyl-2-pyridyl)-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: N-(5-methyl-2-pyridinyl)-4-oxo-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: N-(5-methylpyridin-2-yl)-4-oxo-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 3-allyl-4-keto-N-(5-methyl-2-pyridyl)-2-thioxo-1H-quinazoline-7-carboxamide Formula: C18H16N4O2S MolecularWeight: 352.41024

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(C=C1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)CC=C

Isomeric SMILES

CC1=CN=C(C=C1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)CC=C

InChI

InChI=1S/C18H16N4O2S/c1-3-8-22-17(24)13-6-5-12(9-14(13)20-18(22)25)16(23)21-15-7-4-11(2)10-19-15/h3-7,9-10H,1,8H2,2H3,(H,20,25)(H,19,21,23)