3-[[6-[(4-chlorophenyl)sulfanylmethyl]-4-oxidanylidene-1H-pyrimidin-2-yl]sulfanyl]-6-nitro-4-phenyl-1H-quinolin-2-one

Systemtic Name: 3-[[6-[(4-chlorophenyl)sulfanylmethyl]-4-oxidanylidene-1H-pyrimidin-2-yl]sulfanyl]-6-nitro-4-phenyl-1H-quinolin-2-one Openeye Name: 3-[[6-[(4-chlorophenyl)sulfanylmethyl]-4-oxo-1H-pyrimidin-2-yl]sulfanyl]-6-nitro-4-phenyl-1H-quinolin-2-one CAS Name: 3-[[6-[[(4-chlorophenyl)thio]methyl]-4-oxo-1H-pyrimidin-2-yl]thio]-6-nitro-4-phenyl-1H-quinolin-2-one IUPAC Name: 3-[[6-[(4-chlorophenyl)sulfanylmethyl]-4-oxo-1H-pyrimidin-2-yl]sulfanyl]-6-nitro-4-phenyl-1H-quinolin-2-one Traditional Name: 3-[[6-[[(4-chlorophenyl)thio]methyl]-4-keto-1H-pyrimidin-2-yl]thio]-6-nitro-4-phenyl-carbostyril Formula: C26H17ClN4O4S2 MolecularWeight: 549.02058

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(C(=O)NC3=C2C=C(C=C3)[N+](=O)[O-])SC4=NC(=O)C=C(N4)CSC5=CC=C(C=C5)Cl

Isomeric SMILES

C1=CC=C(C=C1)C2=C(C(=O)NC3=C2C=C(C=C3)[N+](=O)[O-])SC4=NC(=O)C=C(N4)CSC5=CC=C(C=C5)Cl

InChI

InChI=1S/C26H17ClN4O4S2/c27-16-6-9-19(10-7-16)36-14-17-12-22(32)30-26(28-17)37-24-23(15-4-2-1-3-5-15)20-13-18(31(34)35)8-11-21(20)29-25(24)33/h1-13H,14H2,(H,29,33)(H,28,30,32)