3-[(phenylmethyl)amino]-1-(4-phenylphenyl)-2-pyridin-1-ium-1-yl-3-sulfanyl-prop-2-en-1-one

Systemtic Name: 3-[(phenylmethyl)amino]-1-(4-phenylphenyl)-2-pyridin-1-ium-1-yl-3-sulfanyl-prop-2-en-1-one Openeye Name: 3-(benzylamino)-1-(4-phenylphenyl)-2-pyridin-1-ium-1-yl-3-sulfanyl-prop-2-en-1-one CAS Name: 3-mercapto-3-[(phenylmethyl)amino]-1-(4-phenylphenyl)-2-(1-pyridin-1-iumyl)-2-propen-1-one IUPAC Name: 3-(benzylamino)-1-(4-phenylphenyl)-2-pyridin-1-ium-1-yl-3-sulfanylprop-2-en-1-one Traditional Name: 3-(benzylamino)-3-mercapto-1-(4-phenylphenyl)-2-pyridin-1-ium-1-yl-prop-2-en-1-one Formula: C27H23N2OS+ MolecularWeight: 423.54932

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=C(C(=O)C2=CC=C(C=C2)C3=CC=CC=C3)[N+]4=CC=CC=C4)S

Isomeric SMILES

C1=CC=C(C=C1)CNC(=C(C(=O)C2=CC=C(C=C2)C3=CC=CC=C3)[N+]4=CC=CC=C4)S

InChI

InChI=1S/C27H22N2OS/c30-26(24-16-14-23(15-17-24)22-12-6-2-7-13-22)25(29-18-8-3-9-19-29)27(31)28-20-21-10-4-1-5-11-21/h1-19H,20H2,(H-,28,30,31)/p+1