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

Systemtic Name: 2-[[2-[(5-methyl-3-nitro-pyrazol-1-yl)methyl]phenyl]carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 2-[[2-[(5-methyl-3-nitro-pyrazol-1-yl)methyl]benzoyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 2-[[[2-[(5-methyl-3-nitro-1-pyrazolyl)methyl]phenyl]-oxomethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 2-[[2-[(5-methyl-3-nitropyrazol-1-yl)methyl]benzoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 2-[[2-[(5-methyl-3-nitro-pyrazol-1-yl)methyl]benzoyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C21H21N5O4S MolecularWeight: 439.48754

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CC2=CC=CC=C2C(=O)NC3=C(C4=C(S3)CCCC4)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=NN1CC2=CC=CC=C2C(=O)NC3=C(C4=C(S3)CCCC4)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C21H21N5O4S/c1-12-10-17(26(29)30)24-25(12)11-13-6-2-3-7-14(13)20(28)23-21-18(19(22)27)15-8-4-5-9-16(15)31-21/h2-3,6-7,10H,4-5,8-9,11H2,1H3,(H2,22,27)(H,23,28)