4-chloranyl-5-[[(S)-(4-methylphenyl)-thiophen-2-yl-methyl]amino]-2-phenyl-pyridazin-3-one

Systemtic Name: 4-chloranyl-5-[[(S)-(4-methylphenyl)-thiophen-2-yl-methyl]amino]-2-phenyl-pyridazin-3-one Openeye Name: 4-chloro-2-phenyl-5-[[(S)-p-tolyl(2-thienyl)methyl]amino]pyridazin-3-one CAS Name: 4-chloro-5-[[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]-2-phenyl-3-pyridazinone IUPAC Name: 4-chloro-5-[[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]-2-phenylpyridazin-3-one Traditional Name: 4-chloro-2-phenyl-5-[[(S)-p-tolyl(2-thienyl)methyl]amino]pyridazin-3-one Formula: C22H18ClN3OS MolecularWeight: 407.91582

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C2=CC=CS2)NC3=C(C(=O)N(N=C3)C4=CC=CC=C4)Cl

Isomeric SMILES

CC1=CC=C(C=C1)[C@@H](C2=CC=CS2)NC3=C(C(=O)N(N=C3)C4=CC=CC=C4)Cl

InChI

InChI=1S/C22H18ClN3OS/c1-15-9-11-16(12-10-15)21(19-8-5-13-28-19)25-18-14-24-26(22(27)20(18)23)17-6-3-2-4-7-17/h2-14,21,25H,1H3/t21-/m0/s1