2-(1,3-benzothiazol-2-yl)-3-[(3,5-dimethylphenyl)amino]prop-2-enenitrile

Systemtic Name: 2-(1,3-benzothiazol-2-yl)-3-[(3,5-dimethylphenyl)amino]prop-2-enenitrile Openeye Name: 2-(1,3-benzothiazol-2-yl)-3-(3,5-dimethylanilino)prop-2-enenitrile CAS Name: 2-(1,3-benzothiazol-2-yl)-3-(3,5-dimethylanilino)-2-propenenitrile IUPAC Name: 2-(1,3-benzothiazol-2-yl)-3-(3,5-dimethylanilino)prop-2-enenitrile Traditional Name: 2-(1,3-benzothiazol-2-yl)-3-(3,5-dimethylanilino)acrylonitrile Formula: C18H15N3S MolecularWeight: 305.3968

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H15N3S/c1-12-7-13(2)9-15(8-12)20-11-14(10-19)18-21-16-5-3-4-6-17(16)22-18/h3-9,11,20H,1-2H3