(E)-2-(1,3-benzothiazol-2-yl)-3-[(4-methylphenyl)amino]-3-methylsulfanyl-prop-2-enenitrile

Systemtic Name: (E)-2-(1,3-benzothiazol-2-yl)-3-[(4-methylphenyl)amino]-3-methylsulfanyl-prop-2-enenitrile Openeye Name: (E)-2-(1,3-benzothiazol-2-yl)-3-(4-methylanilino)-3-methylsulfanyl-prop-2-enenitrile CAS Name: (E)-2-(1,3-benzothiazol-2-yl)-3-(4-methylanilino)-3-(methylthio)-2-propenenitrile IUPAC Name: (E)-2-(1,3-benzothiazol-2-yl)-3-(4-methylanilino)-3-methylsulfanylprop-2-enenitrile Traditional Name: (E)-2-(1,3-benzothiazol-2-yl)-3-(methylthio)-3-(p-toluidino)acrylonitrile Formula: C18H15N3S2 MolecularWeight: 337.4618

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=C(C#N)C2=NC3=CC=CC=C3S2)SC

Isomeric SMILES

CC1=CC=C(C=C1)N/C(=C(/C#N)\C2=NC3=CC=CC=C3S2)/SC

InChI

InChI=1S/C18H15N3S2/c1-12-7-9-13(10-8-12)20-17(22-2)14(11-19)18-21-15-5-3-4-6-16(15)23-18/h3-10,20H,1-2H3/b17-14+