N'-(4-bromanyl-1-methyl-pyrrol-2-yl)carbonyl-4-oxidanylidene-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carbohydrazide

Systemtic Name: N'-(4-bromanyl-1-methyl-pyrrol-2-yl)carbonyl-4-oxidanylidene-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carbohydrazide Openeye Name: 3-allyl-N'-(4-bromo-1-methyl-pyrrole-2-carbonyl)-4-oxo-2-thioxo-1H-quinazoline-7-carbohydrazide CAS Name: N'-[(4-bromo-1-methyl-2-pyrrolyl)-oxomethyl]-4-oxo-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carbohydrazide IUPAC Name: N'-(4-bromo-1-methylpyrrole-2-carbonyl)-4-oxo-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carbohydrazide Traditional Name: 3-allyl-N'-(4-bromo-1-methyl-pyrrole-2-carbonyl)-4-keto-2-thioxo-1H-quinazoline-7-carbohydrazide Formula: C18H16BrN5O3S MolecularWeight: 462.32034

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=C1C(=O)NNC(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)CC=C)Br

Isomeric SMILES

CN1C=C(C=C1C(=O)NNC(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)CC=C)Br

InChI

InChI=1S/C18H16BrN5O3S/c1-3-6-24-17(27)12-5-4-10(7-13(12)20-18(24)28)15(25)21-22-16(26)14-8-11(19)9-23(14)2/h3-5,7-9H,1,6H2,2H3,(H,20,28)(H,21,25)(H,22,26)