N-methyl-4-oxidanylidene-N-[(1-phenylpyrazol-4-yl)methyl]-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: N-methyl-4-oxidanylidene-N-[(1-phenylpyrazol-4-yl)methyl]-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: 3-allyl-N-methyl-4-oxo-N-[(1-phenylpyrazol-4-yl)methyl]-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: N-methyl-4-oxo-N-[(1-phenyl-4-pyrazolyl)methyl]-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: N-methyl-4-oxo-N-[(1-phenylpyrazol-4-yl)methyl]-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 3-allyl-4-keto-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]-2-thioxo-1H-quinazoline-7-carboxamide Formula: C23H21N5O2S MolecularWeight: 431.51014

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CN(N=C1)C2=CC=CC=C2)C(=O)C3=CC4=C(C=C3)C(=O)N(C(=S)N4)CC=C

Isomeric SMILES

CN(CC1=CN(N=C1)C2=CC=CC=C2)C(=O)C3=CC4=C(C=C3)C(=O)N(C(=S)N4)CC=C

InChI

InChI=1S/C23H21N5O2S/c1-3-11-27-22(30)19-10-9-17(12-20(19)25-23(27)31)21(29)26(2)14-16-13-24-28(15-16)18-7-5-4-6-8-18/h3-10,12-13,15H,1,11,14H2,2H3,(H,25,31)