N-[(1,3-diphenylpyrazol-4-yl)methyl]-3-ethyl-N-methyl-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: N-[(1,3-diphenylpyrazol-4-yl)methyl]-3-ethyl-N-methyl-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: N-[(1,3-diphenylpyrazol-4-yl)methyl]-3-ethyl-N-methyl-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: N-[(1,3-diphenyl-4-pyrazolyl)methyl]-3-ethyl-N-methyl-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: N-[(1,3-diphenylpyrazol-4-yl)methyl]-3-ethyl-N-methyl-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: N-[(1,3-diphenylpyrazol-4-yl)methyl]-3-ethyl-4-keto-N-methyl-2-thioxo-1H-quinazoline-7-carboxamide Formula: C28H25N5O2S MolecularWeight: 495.5954

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(C=C(C=C2)C(=O)N(C)CC3=CN(N=C3C4=CC=CC=C4)C5=CC=CC=C5)NC1=S

Isomeric SMILES

CCN1C(=O)C2=C(C=C(C=C2)C(=O)N(C)CC3=CN(N=C3C4=CC=CC=C4)C5=CC=CC=C5)NC1=S

InChI

InChI=1S/C28H25N5O2S/c1-3-32-27(35)23-15-14-20(16-24(23)29-28(32)36)26(34)31(2)17-21-18-33(22-12-8-5-9-13-22)30-25(21)19-10-6-4-7-11-19/h4-16,18H,3,17H2,1-2H3,(H,29,36)