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

Systemtic Name: N-(3-aminocarbonyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-nitro-1H-pyrazole-5-carboxamide Openeye Name: N-(3-carbamoyl-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-4-nitro-1H-pyrazole-5-carboxamide CAS Name: N-(3-carbamoyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-nitro-1H-pyrazole-5-carboxamide IUPAC Name: N-(3-carbamoyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-nitro-1H-pyrazole-5-carboxamide Traditional Name: N-(3-carbamoyl-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-4-nitro-1H-pyrazole-5-carboxamide Formula: C14H15N5O4S MolecularWeight: 349.365

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C3=C(C=NN3)[N+](=O)[O-]

Isomeric SMILES

CC1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C3=C(C=NN3)[N+](=O)[O-]

InChI

InChI=1S/C14H15N5O4S/c1-6-2-3-7-9(4-6)24-14(10(7)12(15)20)17-13(21)11-8(19(22)23)5-16-18-11/h5-6H,2-4H2,1H3,(H2,15,20)(H,16,18)(H,17,21)