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

Systemtic Name: 2-(4-tert-butylpyridin-1-ium-1-yl)-1-(3-chlorophenyl)-3-[(phenylmethyl)amino]-3-sulfanylidene-prop-1-en-1-olate Openeye Name: 3-(benzylamino)-2-(4-tert-butylpyridin-1-ium-1-yl)-1-(3-chlorophenyl)-3-thioxo-prop-1-en-1-olate CAS Name: 2-(4-tert-butyl-1-pyridin-1-iumyl)-1-(3-chlorophenyl)-3-[(phenylmethyl)amino]-3-sulfanylidene-1-propen-1-olate IUPAC Name: 3-(benzylamino)-2-(4-tert-butylpyridin-1-ium-1-yl)-1-(3-chlorophenyl)-3-sulfanylideneprop-1-en-1-olate Traditional Name: 3-(benzylamino)-2-(4-tert-butylpyridin-1-ium-1-yl)-1-(3-chlorophenyl)-3-thioxo-prop-1-en-1-olate Formula: C25H25ClN2OS MolecularWeight: 436.9968

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=[N+](C=C1)C(=C(C2=CC(=CC=C2)Cl)[O-])C(=S)NCC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C1=CC=[N+](C=C1)C(=C(C2=CC(=CC=C2)Cl)[O-])C(=S)NCC3=CC=CC=C3

InChI

InChI=1S/C25H25ClN2OS/c1-25(2,3)20-12-14-28(15-13-20)22(23(29)19-10-7-11-21(26)16-19)24(30)27-17-18-8-5-4-6-9-18/h4-16H,17H2,1-3H3,(H-,27,29,30)