N-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-nitro-benzamide

Systemtic Name: N-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-nitro-benzamide Openeye Name: N-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-4-(4-methylthiazol-2-yl)sulfanyl-3-nitro-benzamide CAS Name: N-(3,5-dimethyl-1-phenyl-4-pyrazolyl)-4-[(4-methyl-2-thiazolyl)thio]-3-nitrobenzamide IUPAC Name: N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-nitrobenzamide Traditional Name: N-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-4-[(4-methylthiazol-2-yl)thio]-3-nitro-benzamide Formula: C22H19N5O3S2 MolecularWeight: 465.54796

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)SC2=C(C=C(C=C2)C(=O)NC3=C(N(N=C3C)C4=CC=CC=C4)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CSC(=N1)SC2=C(C=C(C=C2)C(=O)NC3=C(N(N=C3C)C4=CC=CC=C4)C)[N+](=O)[O-]

InChI

InChI=1S/C22H19N5O3S2/c1-13-12-31-22(23-13)32-19-10-9-16(11-18(19)27(29)30)21(28)24-20-14(2)25-26(15(20)3)17-7-5-4-6-8-17/h4-12H,1-3H3,(H,24,28)