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

Systemtic Name: 2-(1,3-benzothiazol-2-yl)-3-[(4-methylphenyl)amino]prop-2-enenitrile Openeye Name: 2-(1,3-benzothiazol-2-yl)-3-(4-methylanilino)prop-2-enenitrile CAS Name: 2-(1,3-benzothiazol-2-yl)-3-(4-methylanilino)-2-propenenitrile IUPAC Name: 2-(1,3-benzothiazol-2-yl)-3-(4-methylanilino)prop-2-enenitrile Traditional Name: 2-(1,3-benzothiazol-2-yl)-3-(p-toluidino)acrylonitrile Formula: C17H13N3S MolecularWeight: 291.37022

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H13N3S/c1-12-6-8-14(9-7-12)19-11-13(10-18)17-20-15-4-2-3-5-16(15)21-17/h2-9,11,19H,1H3