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

Systemtic Name: N-(3-aminocarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-nitro-2-(phenylmethyl)pyrazole-3-carboxamide Openeye Name: 2-benzyl-N-(3-carbamoyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-5-nitro-pyrazole-3-carboxamide CAS Name: N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-nitro-2-(phenylmethyl)-3-pyrazolecarboxamide IUPAC Name: 2-benzyl-N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-nitropyrazole-3-carboxamide Traditional Name: 2-benzyl-N-(3-carbamoyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-5-nitro-pyrazole-3-carboxamide Formula: C20H19N5O4S MolecularWeight: 425.46096

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=O)C3=CC(=NN3CC4=CC=CC=C4)[N+](=O)[O-])C(=O)N

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)C3=CC(=NN3CC4=CC=CC=C4)[N+](=O)[O-])C(=O)N

InChI

InChI=1S/C20H19N5O4S/c21-18(26)17-13-8-4-5-9-15(13)30-20(17)22-19(27)14-10-16(25(28)29)23-24(14)11-12-6-2-1-3-7-12/h1-3,6-7,10H,4-5,8-9,11H2,(H2,21,26)(H,22,27)