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

Systemtic Name: 4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-(1-propylbenzimidazol-2-yl)thiophene-2-carboxamide Openeye Name: 4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-(1-propylbenzimidazol-2-yl)thiophene-2-carboxamide CAS Name: 4-[(3,5-dimethyl-4-nitro-1-pyrazolyl)methyl]-N-(1-propyl-2-benzimidazolyl)-2-thiophenecarboxamide IUPAC Name: 4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-N-(1-propylbenzimidazol-2-yl)thiophene-2-carboxamide Traditional Name: 4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-(1-propylbenzimidazol-2-yl)thiophene-2-carboxamide Formula: C21H22N6O3S MolecularWeight: 438.50278

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=CC=CC=C2N=C1NC(=O)C3=CC(=CS3)CN4C(=C(C(=N4)C)[N+](=O)[O-])C

Isomeric SMILES

CCCN1C2=CC=CC=C2N=C1NC(=O)C3=CC(=CS3)CN4C(=C(C(=N4)C)[N+](=O)[O-])C

InChI

InChI=1S/C21H22N6O3S/c1-4-9-25-17-8-6-5-7-16(17)22-21(25)23-20(28)18-10-15(12-31-18)11-26-14(3)19(27(29)30)13(2)24-26/h5-8,10,12H,4,9,11H2,1-3H3,(H,22,23,28)