N-[(6R)-3-aminocarbonyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-1,5-dimethyl-4-nitro-pyrazole-3-carboxamide

Systemtic Name: N-[(6R)-3-aminocarbonyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-1,5-dimethyl-4-nitro-pyrazole-3-carboxamide Openeye Name: N-[(6R)-3-carbamoyl-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]-1,5-dimethyl-4-nitro-pyrazole-3-carboxamide CAS Name: N-[(6R)-3-carbamoyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-1,5-dimethyl-4-nitro-3-pyrazolecarboxamide IUPAC Name: N-[(6R)-3-carbamoyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-1,5-dimethyl-4-nitropyrazole-3-carboxamide Traditional Name: N-[(6R)-3-carbamoyl-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]-1,5-dimethyl-4-nitro-pyrazole-3-carboxamide Formula: C16H19N5O4S MolecularWeight: 377.41816

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C3=NN(C(=C3[N+](=O)[O-])C)C

Isomeric SMILES

C[C@@H]1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C3=NN(C(=C3[N+](=O)[O-])C)C

InChI

InChI=1S/C16H19N5O4S/c1-7-4-5-9-10(6-7)26-16(11(9)14(17)22)18-15(23)12-13(21(24)25)8(2)20(3)19-12/h7H,4-6H2,1-3H3,(H2,17,22)(H,18,23)/t7-/m1/s1