(E)-3-[(3-chloranyl-2-methyl-phenyl)amino]-1-(3,4-dimethylphenyl)-2-pyridin-1-ium-1-yl-3-sulfanylidene-prop-1-en-1-olate

Systemtic Name: (E)-3-[(3-chloranyl-2-methyl-phenyl)amino]-1-(3,4-dimethylphenyl)-2-pyridin-1-ium-1-yl-3-sulfanylidene-prop-1-en-1-olate Openeye Name: (E)-3-(3-chloro-2-methyl-anilino)-1-(3,4-dimethylphenyl)-2-pyridin-1-ium-1-yl-3-thioxo-prop-1-en-1-olate CAS Name: (E)-3-(3-chloro-2-methylanilino)-1-(3,4-dimethylphenyl)-2-(1-pyridin-1-iumyl)-3-sulfanylidene-1-propen-1-olate IUPAC Name: (E)-3-(3-chloro-2-methylanilino)-1-(3,4-dimethylphenyl)-2-pyridin-1-ium-1-yl-3-sulfanylideneprop-1-en-1-olate Traditional Name: (E)-3-(3-chloro-2-methyl-anilino)-1-(3,4-dimethylphenyl)-2-pyridin-1-ium-1-yl-3-thioxo-prop-1-en-1-olate Formula: C23H21ClN2OS MolecularWeight: 408.94364

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=C(C(=S)NC2=C(C(=CC=C2)Cl)C)[N+]3=CC=CC=C3)[O-])C

Isomeric SMILES

CC1=C(C=C(C=C1)/C(=C(/C(=S)NC2=C(C(=CC=C2)Cl)C)\[N+]3=CC=CC=C3)/[O-])C

InChI

InChI=1S/C23H21ClN2OS/c1-15-10-11-18(14-16(15)2)22(27)21(26-12-5-4-6-13-26)23(28)25-20-9-7-8-19(24)17(20)3/h4-14H,1-3H3,(H-,25,27,28)