3-[2-(4-bromanyl-8-chloranyl-naphthalen-1-yl)sulfanylethanoylamino]-N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)benzamide

Systemtic Name: 3-[2-(4-bromanyl-8-chloranyl-naphthalen-1-yl)sulfanylethanoylamino]-N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)benzamide Openeye Name: 3-[[2-[(4-bromo-8-chloro-1-naphthyl)sulfanyl]acetyl]amino]-N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)benzamide CAS Name: 3-[[2-[(4-bromo-8-chloro-1-naphthalenyl)thio]-1-oxoethyl]amino]-N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)benzamide IUPAC Name: 3-[[2-(4-bromo-8-chloronaphthalen-1-yl)sulfanylacetyl]amino]-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)benzamide Traditional Name: 3-[[2-[(4-bromo-8-chloro-1-naphthyl)thio]acetyl]amino]-N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)benzamide Formula: C30H24BrClN4O3S MolecularWeight: 635.95856

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C3=CC(=CC=C3)NC(=O)CSC4=C5C(=C(C=C4)Br)C=CC=C5Cl

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C3=CC(=CC=C3)NC(=O)CSC4=C5C(=C(C=C4)Br)C=CC=C5Cl

InChI

InChI=1S/C30H24BrClN4O3S/c1-18-28(30(39)36(35(18)2)21-10-4-3-5-11-21)34-29(38)19-8-6-9-20(16-19)33-26(37)17-40-25-15-14-23(31)22-12-7-13-24(32)27(22)25/h3-16H,17H2,1-2H3,(H,33,37)(H,34,38)