4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-(4-methyl-1,3-benzothiazol-2-yl)thiophene-2-carboxamide

Systemtic Name: 4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-(4-methyl-1,3-benzothiazol-2-yl)thiophene-2-carboxamide Openeye Name: 4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-(4-methyl-1,3-benzothiazol-2-yl)thiophene-2-carboxamide CAS Name: 4-[(3,5-dimethyl-4-nitro-1-pyrazolyl)methyl]-N-(4-methyl-1,3-benzothiazol-2-yl)-2-thiophenecarboxamide IUPAC Name: 4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-N-(4-methyl-1,3-benzothiazol-2-yl)thiophene-2-carboxamide Traditional Name: 4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-(4-methyl-1,3-benzothiazol-2-yl)thiophene-2-carboxamide Formula: C19H17N5O3S2 MolecularWeight: 427.49998

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)SC(=N2)NC(=O)C3=CC(=CS3)CN4C(=C(C(=N4)C)[N+](=O)[O-])C

Isomeric SMILES

CC1=C2C(=CC=C1)SC(=N2)NC(=O)C3=CC(=CS3)CN4C(=C(C(=N4)C)[N+](=O)[O-])C

InChI

InChI=1S/C19H17N5O3S2/c1-10-5-4-6-14-16(10)20-19(29-14)21-18(25)15-7-13(9-28-15)8-23-12(3)17(24(26)27)11(2)22-23/h4-7,9H,8H2,1-3H3,(H,20,21,25)