3-ethyl-4-oxidanylidene-N-[[3-phenyl-1-(phenylmethyl)pyrazol-4-yl]methyl]-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: 3-ethyl-4-oxidanylidene-N-[[3-phenyl-1-(phenylmethyl)pyrazol-4-yl]methyl]-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: N-[(1-benzyl-3-phenyl-pyrazol-4-yl)methyl]-3-ethyl-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: 3-ethyl-4-oxo-N-[[3-phenyl-1-(phenylmethyl)-4-pyrazolyl]methyl]-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-3-ethyl-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: N-[(1-benzyl-3-phenyl-pyrazol-4-yl)methyl]-3-ethyl-4-keto-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)NCC3=CN(N=C3C4=CC=CC=C4)CC5=CC=CC=C5)NC1=S

Isomeric SMILES

CCN1C(=O)C2=C(C=C(C=C2)C(=O)NCC3=CN(N=C3C4=CC=CC=C4)CC5=CC=CC=C5)NC1=S

InChI

InChI=1S/C28H25N5O2S/c1-2-33-27(35)23-14-13-21(15-24(23)30-28(33)36)26(34)29-16-22-18-32(17-19-9-5-3-6-10-19)31-25(22)20-11-7-4-8-12-20/h3-15,18H,2,16-17H2,1H3,(H,29,34)(H,30,36)