2-[2-oxidanylidene-2-(1H-pyrrol-2-yl)ethyl]sulfanyl-3-(phenylmethyl)quinazolin-4-one

Systemtic Name: 2-[2-oxidanylidene-2-(1H-pyrrol-2-yl)ethyl]sulfanyl-3-(phenylmethyl)quinazolin-4-one Openeye Name: 3-benzyl-2-[2-oxo-2-(1H-pyrrol-2-yl)ethyl]sulfanyl-quinazolin-4-one CAS Name: 2-[[2-oxo-2-(1H-pyrrol-2-yl)ethyl]thio]-3-(phenylmethyl)-4-quinazolinone IUPAC Name: 3-benzyl-2-[2-oxo-2-(1H-pyrrol-2-yl)ethyl]sulfanylquinazolin-4-one Traditional Name: 3-benzyl-2-[[2-keto-2-(1H-pyrrol-2-yl)ethyl]thio]quinazolin-4-one Formula: C21H17N3O2S MolecularWeight: 375.44358

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3N=C2SCC(=O)C4=CC=CN4

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3N=C2SCC(=O)C4=CC=CN4

InChI

InChI=1S/C21H17N3O2S/c25-19(18-11-6-12-22-18)14-27-21-23-17-10-5-4-9-16(17)20(26)24(21)13-15-7-2-1-3-8-15/h1-12,22H,13-14H2