1-methyl-5-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]carbamoyl]pyrazole-4-carboxylic acid

Systemtic Name: 1-methyl-5-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]carbamoyl]pyrazole-4-carboxylic acid Openeye Name: 1-methyl-5-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]carbamoyl]pyrazole-4-carboxylic acid CAS Name: 1-methyl-5-[[4-(6-methyl-1,3-benzothiazol-2-yl)anilino]-oxomethyl]-4-pyrazolecarboxylic acid IUPAC Name: 1-methyl-5-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]carbamoyl]pyrazole-4-carboxylic acid Traditional Name: 1-methyl-5-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]carbamoyl]pyrazole-4-carboxylic acid Formula: C20H16N4O3S MolecularWeight: 392.43104

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=O)C4=C(C=NN4C)C(=O)O

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=O)C4=C(C=NN4C)C(=O)O

InChI

InChI=1S/C20H16N4O3S/c1-11-3-8-15-16(9-11)28-19(23-15)12-4-6-13(7-5-12)22-18(25)17-14(20(26)27)10-21-24(17)2/h3-10H,1-2H3,(H,22,25)(H,26,27)