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

Systemtic Name: N-[(1,3-diphenylpyrazol-4-yl)methyl]-3-ethyl-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: N-[(1,3-diphenylpyrazol-4-yl)methyl]-3-ethyl-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: N-[(1,3-diphenyl-4-pyrazolyl)methyl]-3-ethyl-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: N-[(1,3-diphenylpyrazol-4-yl)methyl]-3-ethyl-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: N-[(1,3-diphenylpyrazol-4-yl)methyl]-3-ethyl-4-keto-2-thioxo-1H-quinazoline-7-carboxamide Formula: C27H23N5O2S MolecularWeight: 481.56882

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(C=C(C=C2)C(=O)NCC3=CN(N=C3C4=CC=CC=C4)C5=CC=CC=C5)NC1=S

Isomeric SMILES

CCN1C(=O)C2=C(C=C(C=C2)C(=O)NCC3=CN(N=C3C4=CC=CC=C4)C5=CC=CC=C5)NC1=S

InChI

InChI=1S/C27H23N5O2S/c1-2-31-26(34)22-14-13-19(15-23(22)29-27(31)35)25(33)28-16-20-17-32(21-11-7-4-8-12-21)30-24(20)18-9-5-3-6-10-18/h3-15,17H,2,16H2,1H3,(H,28,33)(H,29,35)