(E)-2-(1,3-benzothiazol-2-yl)-3-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)prop-2-enenitrile

Systemtic Name: (E)-2-(1,3-benzothiazol-2-yl)-3-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)prop-2-enenitrile Openeye Name: (E)-2-(1,3-benzothiazol-2-yl)-3-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)prop-2-enenitrile CAS Name: (E)-2-(1,3-benzothiazol-2-yl)-3-(1-cyclopropyl-2,5-dimethyl-3-pyrrolyl)-2-propenenitrile IUPAC Name: (E)-2-(1,3-benzothiazol-2-yl)-3-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)prop-2-enenitrile Traditional Name: (E)-2-(1,3-benzothiazol-2-yl)-3-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)acrylonitrile Formula: C19H17N3S MolecularWeight: 319.42338

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2CC2)C)C=C(C#N)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=CC(=C(N1C2CC2)C)/C=C(\C#N)/C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C19H17N3S/c1-12-9-14(13(2)22(12)16-7-8-16)10-15(11-20)19-21-17-5-3-4-6-18(17)23-19/h3-6,9-10,16H,7-8H2,1-2H3/b15-10+