4-[(E)-2-(1,3-benzothiazol-2-yl)ethenyl]-1,5-dimethyl-pyrrole-2-carbonitrile

Systemtic Name: 4-[(E)-2-(1,3-benzothiazol-2-yl)ethenyl]-1,5-dimethyl-pyrrole-2-carbonitrile Openeye Name: 4-[(E)-2-(1,3-benzothiazol-2-yl)vinyl]-1,5-dimethyl-pyrrole-2-carbonitrile CAS Name: 4-[(E)-2-(1,3-benzothiazol-2-yl)ethenyl]-1,5-dimethyl-2-pyrrolecarbonitrile IUPAC Name: 4-[(E)-2-(1,3-benzothiazol-2-yl)ethenyl]-1,5-dimethylpyrrole-2-carbonitrile Traditional Name: 4-[(E)-2-(1,3-benzothiazol-2-yl)vinyl]-1,5-dimethyl-pyrrole-2-carbonitrile Formula: C16H13N3S MolecularWeight: 279.35952

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(N1C)C#N)C=CC2=NC3=CC=CC=C3S2

Isomeric SMILES

CC1=C(C=C(N1C)C#N)/C=C/C2=NC3=CC=CC=C3S2

InChI

InChI=1S/C16H13N3S/c1-11-12(9-13(10-17)19(11)2)7-8-16-18-14-5-3-4-6-15(14)20-16/h3-9H,1-2H3/b8-7+