2-(4-tert-butylpyridin-1-ium-1-yl)-1-(3,4-dimethylphenyl)-3-[(phenylmethyl)amino]-3-sulfanylidene-prop-1-en-1-olate

Systemtic Name: 2-(4-tert-butylpyridin-1-ium-1-yl)-1-(3,4-dimethylphenyl)-3-[(phenylmethyl)amino]-3-sulfanylidene-prop-1-en-1-olate Openeye Name: 3-(benzylamino)-2-(4-tert-butylpyridin-1-ium-1-yl)-1-(3,4-dimethylphenyl)-3-thioxo-prop-1-en-1-olate CAS Name: 2-(4-tert-butyl-1-pyridin-1-iumyl)-1-(3,4-dimethylphenyl)-3-[(phenylmethyl)amino]-3-sulfanylidene-1-propen-1-olate IUPAC Name: 3-(benzylamino)-2-(4-tert-butylpyridin-1-ium-1-yl)-1-(3,4-dimethylphenyl)-3-sulfanylideneprop-1-en-1-olate Traditional Name: 3-(benzylamino)-2-(4-tert-butylpyridin-1-ium-1-yl)-1-(3,4-dimethylphenyl)-3-thioxo-prop-1-en-1-olate Formula: C27H30N2OS MolecularWeight: 430.6049

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=C(C(=S)NCC2=CC=CC=C2)[N+]3=CC=C(C=C3)C(C)(C)C)[O-])C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=C(C(=S)NCC2=CC=CC=C2)[N+]3=CC=C(C=C3)C(C)(C)C)[O-])C

InChI

InChI=1S/C27H30N2OS/c1-19-11-12-22(17-20(19)2)25(30)24(26(31)28-18-21-9-7-6-8-10-21)29-15-13-23(14-16-29)27(3,4)5/h6-17H,18H2,1-5H3,(H-,28,30,31)