(E)-2-(1,3-benzothiazol-2-yl)-3-[2-(4-bromophenyl)-5-methyl-3-oxidanylidene-1H-pyrazol-4-yl]prop-2-enenitrile

Systemtic Name: (E)-2-(1,3-benzothiazol-2-yl)-3-[2-(4-bromophenyl)-5-methyl-3-oxidanylidene-1H-pyrazol-4-yl]prop-2-enenitrile Openeye Name: (E)-2-(1,3-benzothiazol-2-yl)-3-[2-(4-bromophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]prop-2-enenitrile CAS Name: (E)-2-(1,3-benzothiazol-2-yl)-3-[2-(4-bromophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]-2-propenenitrile IUPAC Name: (E)-2-(1,3-benzothiazol-2-yl)-3-[2-(4-bromophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]prop-2-enenitrile Traditional Name: (E)-2-(1,3-benzothiazol-2-yl)-3-[1-(4-bromophenyl)-5-keto-3-methyl-3-pyrazolin-4-yl]acrylonitrile Formula: C20H13BrN4OS MolecularWeight: 437.31242

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1)C2=CC=C(C=C2)Br)C=C(C#N)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=C(C(=O)N(N1)C2=CC=C(C=C2)Br)/C=C(\C#N)/C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C20H13BrN4OS/c1-12-16(20(26)25(24-12)15-8-6-14(21)7-9-15)10-13(11-22)19-23-17-4-2-3-5-18(17)27-19/h2-10,24H,1H3/b13-10+