(E)-2-(1,3-benzothiazol-2-yl)-3-(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)prop-2-enenitrile

Systemtic Name: (E)-2-(1,3-benzothiazol-2-yl)-3-(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)prop-2-enenitrile Openeye Name: (E)-2-(1,3-benzothiazol-2-yl)-3-(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)prop-2-enenitrile CAS Name: (E)-2-(1,3-benzothiazol-2-yl)-3-(5-chloro-3-methyl-1-phenyl-4-pyrazolyl)-2-propenenitrile IUPAC Name: (E)-2-(1,3-benzothiazol-2-yl)-3-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)prop-2-enenitrile Traditional Name: (E)-2-(1,3-benzothiazol-2-yl)-3-(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)acrylonitrile Formula: C20H13ClN4S MolecularWeight: 376.86202

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C=C(C#N)C2=NC3=CC=CC=C3S2)Cl)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1/C=C(\C#N)/C2=NC3=CC=CC=C3S2)Cl)C4=CC=CC=C4

InChI

InChI=1S/C20H13ClN4S/c1-13-16(19(21)25(24-13)15-7-3-2-4-8-15)11-14(12-22)20-23-17-9-5-6-10-18(17)26-20/h2-11H,1H3/b14-11+