3-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-2-[2-(7-ethyl-1H-indol-3-yl)-2-oxidanylidene-ethyl]sulfanyl-quinazolin-4-one

Systemtic Name: 3-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-2-[2-(7-ethyl-1H-indol-3-yl)-2-oxidanylidene-ethyl]sulfanyl-quinazolin-4-one Openeye Name: 3-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-2-[2-(7-ethyl-1H-indol-3-yl)-2-oxo-ethyl]sulfanyl-quinazolin-4-one CAS Name: 3-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-2-[[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl]thio]-4-quinazolinone IUPAC Name: 3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl]sulfanylquinazolin-4-one Traditional Name: 2-[[2-(7-ethyl-1H-indol-3-yl)-2-keto-ethyl]thio]-3-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)quinazolin-4-one Formula: C31H27N5O3S MolecularWeight: 549.64278

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC2=C1NC=C2C(=O)CSC3=NC4=CC=CC=C4C(=O)N3C5=C(N(N(C5=O)C6=CC=CC=C6)C)C

Isomeric SMILES

CCC1=CC=CC2=C1NC=C2C(=O)CSC3=NC4=CC=CC=C4C(=O)N3C5=C(N(N(C5=O)C6=CC=CC=C6)C)C

InChI

InChI=1S/C31H27N5O3S/c1-4-20-11-10-15-22-24(17-32-27(20)22)26(37)18-40-31-33-25-16-9-8-14-23(25)29(38)35(31)28-19(2)34(3)36(30(28)39)21-12-6-5-7-13-21/h5-17,32H,4,18H2,1-3H3