N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-1-(3-nitrophenyl)pyrazole-3-carboxamide

Systemtic Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-1-(3-nitrophenyl)pyrazole-3-carboxamide Openeye Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-1-(3-nitrophenyl)pyrazole-3-carboxamide CAS Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-1-(3-nitrophenyl)-3-pyrazolecarboxamide IUPAC Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-1-(3-nitrophenyl)pyrazole-3-carboxamide Traditional Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-1-(3-nitrophenyl)pyrazole-3-carboxamide Formula: C19H15N5O3S MolecularWeight: 393.4191

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)SC(=N2)NC(=O)C3=NN(C=C3)C4=CC(=CC=C4)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=C2C(=C1)SC(=N2)NC(=O)C3=NN(C=C3)C4=CC(=CC=C4)[N+](=O)[O-])C

InChI

InChI=1S/C19H15N5O3S/c1-11-8-12(2)17-16(9-11)28-19(20-17)21-18(25)15-6-7-23(22-15)13-4-3-5-14(10-13)24(26)27/h3-10H,1-2H3,(H,20,21,25)