N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(3-methoxy-4-nitro-pyrazol-1-yl)propanamide

Systemtic Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(3-methoxy-4-nitro-pyrazol-1-yl)propanamide Openeye Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-3-(3-methoxy-4-nitro-pyrazol-1-yl)propanamide CAS Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(3-methoxy-4-nitro-1-pyrazolyl)propanamide IUPAC Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(3-methoxy-4-nitropyrazol-1-yl)propanamide Traditional Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-3-(3-methoxy-4-nitro-pyrazol-1-yl)propionamide Formula: C16H17N5O4S MolecularWeight: 375.40228

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NN(C=C1[N+](=O)[O-])CCC(=O)NC2=C(C3=C(S2)CCCC3)C#N

Isomeric SMILES

COC1=NN(C=C1[N+](=O)[O-])CCC(=O)NC2=C(C3=C(S2)CCCC3)C#N

InChI

InChI=1S/C16H17N5O4S/c1-25-15-12(21(23)24)9-20(19-15)7-6-14(22)18-16-11(8-17)10-4-2-3-5-13(10)26-16/h9H,2-7H2,1H3,(H,18,22)