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

Systemtic Name: (E)-2-(1,3-benzothiazol-2-yl)-3-(2,5-dimethyl-1-propan-2-yl-pyrrol-3-yl)prop-2-enenitrile Openeye Name: (E)-2-(1,3-benzothiazol-2-yl)-3-(1-isopropyl-2,5-dimethyl-pyrrol-3-yl)prop-2-enenitrile CAS Name: (E)-2-(1,3-benzothiazol-2-yl)-3-(2,5-dimethyl-1-propan-2-yl-3-pyrrolyl)-2-propenenitrile IUPAC Name: (E)-2-(1,3-benzothiazol-2-yl)-3-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)prop-2-enenitrile Traditional Name: (E)-2-(1,3-benzothiazol-2-yl)-3-(1-isopropyl-2,5-dimethyl-pyrrol-3-yl)acrylonitrile Formula: C19H19N3S MolecularWeight: 321.43926

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19N3S/c1-12(2)22-13(3)9-15(14(22)4)10-16(11-20)19-21-17-7-5-6-8-18(17)23-19/h5-10,12H,1-4H3/b16-10+