(E)-2-(1,3-benzothiazol-2-yl)-3-[5-(4-methylphenyl)sulfanylthiophen-2-yl]prop-2-enenitrile

Systemtic Name: (E)-2-(1,3-benzothiazol-2-yl)-3-[5-(4-methylphenyl)sulfanylthiophen-2-yl]prop-2-enenitrile Openeye Name: (E)-2-(1,3-benzothiazol-2-yl)-3-[5-(p-tolylsulfanyl)-2-thienyl]prop-2-enenitrile CAS Name: (E)-2-(1,3-benzothiazol-2-yl)-3-[5-[(4-methylphenyl)thio]-2-thiophenyl]-2-propenenitrile IUPAC Name: (E)-2-(1,3-benzothiazol-2-yl)-3-[5-(4-methylphenyl)sulfanylthiophen-2-yl]prop-2-enenitrile Traditional Name: (E)-2-(1,3-benzothiazol-2-yl)-3-[5-(p-tolylthio)-2-thienyl]acrylonitrile Formula: C21H14N2S3 MolecularWeight: 390.54426

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=CC=C(S2)C=C(C#N)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=CC=C(C=C1)SC2=CC=C(S2)/C=C(\C#N)/C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H14N2S3/c1-14-6-8-16(9-7-14)24-20-11-10-17(25-20)12-15(13-22)21-23-18-4-2-3-5-19(18)26-21/h2-12H,1H3/b15-12+