2-(1,3-benzothiazol-2-yl)-3-[(2-methoxy-5-methyl-phenyl)amino]prop-2-enenitrile

Systemtic Name: 2-(1,3-benzothiazol-2-yl)-3-[(2-methoxy-5-methyl-phenyl)amino]prop-2-enenitrile Openeye Name: 2-(1,3-benzothiazol-2-yl)-3-(2-methoxy-5-methyl-anilino)prop-2-enenitrile CAS Name: 2-(1,3-benzothiazol-2-yl)-3-(2-methoxy-5-methylanilino)-2-propenenitrile IUPAC Name: 2-(1,3-benzothiazol-2-yl)-3-(2-methoxy-5-methylanilino)prop-2-enenitrile Traditional Name: 2-(1,3-benzothiazol-2-yl)-3-(2-methoxy-5-methyl-anilino)acrylonitrile Formula: C18H15N3OS MolecularWeight: 321.3962

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H15N3OS/c1-12-7-8-16(22-2)15(9-12)20-11-13(10-19)18-21-14-5-3-4-6-17(14)23-18/h3-9,11,20H,1-2H3