2-[[3-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]phenyl]carbonylamino]-5-propan-2-yl-thiophene-3-carboxamide

Systemtic Name: 2-[[3-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]phenyl]carbonylamino]-5-propan-2-yl-thiophene-3-carboxamide Openeye Name: 2-[[3-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]benzoyl]amino]-5-isopropyl-thiophene-3-carboxamide CAS Name: 2-[[[3-[(3,5-dimethyl-4-nitro-1-pyrazolyl)methyl]phenyl]-oxomethyl]amino]-5-propan-2-yl-3-thiophenecarboxamide IUPAC Name: 2-[[3-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]benzoyl]amino]-5-propan-2-ylthiophene-3-carboxamide Traditional Name: 2-[[3-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]benzoyl]amino]-5-isopropyl-thiophene-3-carboxamide Formula: C21H23N5O4S MolecularWeight: 441.50342

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=CC(=C2)C(=O)NC3=C(C=C(S3)C(C)C)C(=O)N)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=CC(=C2)C(=O)NC3=C(C=C(S3)C(C)C)C(=O)N)C)[N+](=O)[O-]

InChI

InChI=1S/C21H23N5O4S/c1-11(2)17-9-16(19(22)27)21(31-17)23-20(28)15-7-5-6-14(8-15)10-25-13(4)18(26(29)30)12(3)24-25/h5-9,11H,10H2,1-4H3,(H2,22,27)(H,23,28)