2-[(E)-3-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]-3-(4-methylphenyl)prop-2-enylidene]propanedinitrile

Systemtic Name: 2-[(E)-3-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]-3-(4-methylphenyl)prop-2-enylidene]propanedinitrile Openeye Name: 2-[(E)-3-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]-3-(p-tolyl)prop-2-enylidene]propanedinitrile CAS Name: 2-[(E)-3-[(6-ethoxy-1,3-benzothiazol-2-yl)thio]-3-(4-methylphenyl)prop-2-enylidene]propanedinitrile IUPAC Name: 2-[(E)-3-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]-3-(4-methylphenyl)prop-2-enylidene]propanedinitrile Traditional Name: 2-[(E)-3-[(6-ethoxy-1,3-benzothiazol-2-yl)thio]-3-(p-tolyl)prop-2-enylidene]malononitrile Formula: C22H17N3OS2 MolecularWeight: 403.51988

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(S2)SC(=CC=C(C#N)C#N)C3=CC=C(C=C3)C

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(S2)S/C(=C/C=C(C#N)C#N)/C3=CC=C(C=C3)C

InChI

InChI=1S/C22H17N3OS2/c1-3-26-18-9-10-19-21(12-18)28-22(25-19)27-20(11-6-16(13-23)14-24)17-7-4-15(2)5-8-17/h4-12H,3H2,1-2H3/b20-11+