6-methyl-2-[2-(5-methyl-3-nitro-pyrazol-1-yl)ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: 6-methyl-2-[2-(5-methyl-3-nitro-pyrazol-1-yl)ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 6-methyl-2-[[2-(5-methyl-3-nitro-pyrazol-1-yl)acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 6-methyl-2-[[2-(5-methyl-3-nitro-1-pyrazolyl)-1-oxoethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 6-methyl-2-[[2-(5-methyl-3-nitropyrazol-1-yl)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 6-methyl-2-[[2-(5-methyl-3-nitro-pyrazol-1-yl)acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-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)CN3C(=CC(=N3)[N+](=O)[O-])C

Isomeric SMILES

CC1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)CN3C(=CC(=N3)[N+](=O)[O-])C

InChI

InChI=1S/C16H19N5O4S/c1-8-3-4-10-11(5-8)26-16(14(10)15(17)23)18-13(22)7-20-9(2)6-12(19-20)21(24)25/h6,8H,3-5,7H2,1-2H3,(H2,17,23)(H,18,22)