4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-nitro-N-[(1-phenylpyrazol-4-yl)methyl]benzamide

Systemtic Name: 4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-nitro-N-[(1-phenylpyrazol-4-yl)methyl]benzamide Openeye Name: 4-(4-methylthiazol-2-yl)sulfanyl-3-nitro-N-[(1-phenylpyrazol-4-yl)methyl]benzamide CAS Name: 4-[(4-methyl-2-thiazolyl)thio]-3-nitro-N-[(1-phenyl-4-pyrazolyl)methyl]benzamide IUPAC Name: 4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-nitro-N-[(1-phenylpyrazol-4-yl)methyl]benzamide Traditional Name: 4-[(4-methylthiazol-2-yl)thio]-3-nitro-N-[(1-phenylpyrazol-4-yl)methyl]benzamide Formula: C21H17N5O3S2 MolecularWeight: 451.52138

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)SC2=C(C=C(C=C2)C(=O)NCC3=CN(N=C3)C4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CSC(=N1)SC2=C(C=C(C=C2)C(=O)NCC3=CN(N=C3)C4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H17N5O3S2/c1-14-13-30-21(24-14)31-19-8-7-16(9-18(19)26(28)29)20(27)22-10-15-11-23-25(12-15)17-5-3-2-4-6-17/h2-9,11-13H,10H2,1H3,(H,22,27)