4-oxidanylidene-3-prop-2-enyl-2-sulfanylidene-N-[6-(1,2,4-triazol-1-yl)pyridin-3-yl]-1H-quinazoline-7-carboxamide

Systemtic Name: 4-oxidanylidene-3-prop-2-enyl-2-sulfanylidene-N-[6-(1,2,4-triazol-1-yl)pyridin-3-yl]-1H-quinazoline-7-carboxamide Openeye Name: 3-allyl-4-oxo-2-thioxo-N-[6-(1,2,4-triazol-1-yl)-3-pyridyl]-1H-quinazoline-7-carboxamide CAS Name: 4-oxo-3-prop-2-enyl-2-sulfanylidene-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]-1H-quinazoline-7-carboxamide IUPAC Name: 4-oxo-3-prop-2-enyl-2-sulfanylidene-N-[6-(1,2,4-triazol-1-yl)pyridin-3-yl]-1H-quinazoline-7-carboxamide Traditional Name: 3-allyl-4-keto-2-thioxo-N-[6-(1,2,4-triazol-1-yl)-3-pyridyl]-1H-quinazoline-7-carboxamide Formula: C19H15N7O2S MolecularWeight: 405.4331

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C2=C(C=C(C=C2)C(=O)NC3=CN=C(C=C3)N4C=NC=N4)NC1=S

Isomeric SMILES

C=CCN1C(=O)C2=C(C=C(C=C2)C(=O)NC3=CN=C(C=C3)N4C=NC=N4)NC1=S

InChI

InChI=1S/C19H15N7O2S/c1-2-7-25-18(28)14-5-3-12(8-15(14)24-19(25)29)17(27)23-13-4-6-16(21-9-13)26-11-20-10-22-26/h2-6,8-11H,1,7H2,(H,23,27)(H,24,29)