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

Systemtic Name: 2-[2-(4-chloranyl-5-methyl-3-nitro-pyrazol-1-yl)ethanoylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 2-[[2-(4-chloro-5-methyl-3-nitro-pyrazol-1-yl)acetyl]amino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 2-[[2-(4-chloro-5-methyl-3-nitro-1-pyrazolyl)-1-oxoethyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 2-[[2-(4-chloro-5-methyl-3-nitropyrazol-1-yl)acetyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 2-[[2-(4-chloro-5-methyl-3-nitro-pyrazol-1-yl)acetyl]amino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C16H18ClN5O4S MolecularWeight: 411.86322

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18ClN5O4S/c1-7-3-4-9-10(5-7)27-16(12(9)14(18)24)19-11(23)6-21-8(2)13(17)15(20-21)22(25)26/h7H,3-6H2,1-2H3,(H2,18,24)(H,19,23)