2-(1,3-benzothiazol-2-yl)-3-[(4-methylphenyl)amino]-3-(2-oxidanylidene-2-phenothiazin-10-yl-ethyl)sulfanyl-prop-2-enenitrile

Systemtic Name: 2-(1,3-benzothiazol-2-yl)-3-[(4-methylphenyl)amino]-3-(2-oxidanylidene-2-phenothiazin-10-yl-ethyl)sulfanyl-prop-2-enenitrile Openeye Name: 2-(1,3-benzothiazol-2-yl)-3-(4-methylanilino)-3-(2-oxo-2-phenothiazin-10-yl-ethyl)sulfanyl-prop-2-enenitrile CAS Name: 2-(1,3-benzothiazol-2-yl)-3-(4-methylanilino)-3-[[2-oxo-2-(10-phenothiazinyl)ethyl]thio]-2-propenenitrile IUPAC Name: 2-(1,3-benzothiazol-2-yl)-3-(4-methylanilino)-3-(2-oxo-2-phenothiazin-10-ylethyl)sulfanylprop-2-enenitrile Traditional Name: 2-(1,3-benzothiazol-2-yl)-3-[(2-keto-2-phenothiazin-10-yl-ethyl)thio]-3-(p-toluidino)acrylonitrile Formula: C31H22N4OS3 MolecularWeight: 562.72758

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=C(C#N)C2=NC3=CC=CC=C3S2)SCC(=O)N4C5=CC=CC=C5SC6=CC=CC=C64

Isomeric SMILES

CC1=CC=C(C=C1)NC(=C(C#N)C2=NC3=CC=CC=C3S2)SCC(=O)N4C5=CC=CC=C5SC6=CC=CC=C64

InChI

InChI=1S/C31H22N4OS3/c1-20-14-16-21(17-15-20)33-30(22(18-32)31-34-23-8-2-5-11-26(23)39-31)37-19-29(36)35-24-9-3-6-12-27(24)38-28-13-7-4-10-25(28)35/h2-17,33H,19H2,1H3