(E)-2-(4-phenyl-1,3-thiazol-2-yl)-3-(1H-pyrrol-2-yl)prop-2-enenitrile hydrochloride

Systemtic Name: (E)-2-(4-phenyl-1,3-thiazol-2-yl)-3-(1H-pyrrol-2-yl)prop-2-enenitrile hydrochloride Openeye Name: (E)-2-(4-phenylthiazol-2-yl)-3-(1H-pyrrol-2-yl)prop-2-enenitrile hydrochloride CAS Name: (E)-2-(4-phenyl-2-thiazolyl)-3-(1H-pyrrol-2-yl)-2-propenenitrile hydrochloride IUPAC Name: (E)-2-(4-phenyl-1,3-thiazol-2-yl)-3-(1H-pyrrol-2-yl)prop-2-enenitrile hydrochloride Traditional Name: (E)-2-(4-phenylthiazol-2-yl)-3-(1H-pyrrol-2-yl)acrylonitrile hydrochloride Formula: C16H12ClN3S MolecularWeight: 313.80458

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CSC(=N2)C(=CC3=CC=CN3)C#N.Cl

Isomeric SMILES

C1=CC=C(C=C1)C2=CSC(=N2)/C(=C/C3=CC=CN3)/C#N.Cl

InChI

InChI=1S/C16H11N3S.ClH/c17-10-13(9-14-7-4-8-18-14)16-19-15(11-20-16)12-5-2-1-3-6-12;/h1-9,11,18H;1H/b13-9+;