(E)-2-(1,3-benzothiazol-2-yl)-3-[1-(2-cyanoethyl)-3-methyl-pyrazol-4-yl]prop-2-enenitrile

Systemtic Name: (E)-2-(1,3-benzothiazol-2-yl)-3-[1-(2-cyanoethyl)-3-methyl-pyrazol-4-yl]prop-2-enenitrile Openeye Name: (E)-2-(1,3-benzothiazol-2-yl)-3-[1-(2-cyanoethyl)-3-methyl-pyrazol-4-yl]prop-2-enenitrile CAS Name: (E)-2-(1,3-benzothiazol-2-yl)-3-[1-(2-cyanoethyl)-3-methyl-4-pyrazolyl]-2-propenenitrile IUPAC Name: (E)-2-(1,3-benzothiazol-2-yl)-3-[1-(2-cyanoethyl)-3-methylpyrazol-4-yl]prop-2-enenitrile Traditional Name: (E)-2-(1,3-benzothiazol-2-yl)-3-[1-(2-cyanoethyl)-3-methyl-pyrazol-4-yl]acrylonitrile Formula: C17H13N5S MolecularWeight: 319.38362

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H13N5S/c1-12-14(11-22(21-12)8-4-7-18)9-13(10-19)17-20-15-5-2-3-6-16(15)23-17/h2-3,5-6,9,11H,4,8H2,1H3/b13-9+