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

Systemtic Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-(3,5-dimethyl-4-nitro-pyrazol-1-yl)butanamide Openeye Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-4-(3,5-dimethyl-4-nitro-pyrazol-1-yl)butanamide CAS Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-(3,5-dimethyl-4-nitro-1-pyrazolyl)butanamide IUPAC Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-(3,5-dimethyl-4-nitropyrazol-1-yl)butanamide Traditional Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-4-(3,5-dimethyl-4-nitro-pyrazol-1-yl)butyramide Formula: C18H21N5O3S MolecularWeight: 387.45604

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CCCC(=O)NC2=C(C3=C(S2)CCCC3)C#N)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CCCC(=O)NC2=C(C3=C(S2)CCCC3)C#N)C)[N+](=O)[O-]

InChI

InChI=1S/C18H21N5O3S/c1-11-17(23(25)26)12(2)22(21-11)9-5-8-16(24)20-18-14(10-19)13-6-3-4-7-15(13)27-18/h3-9H2,1-2H3,(H,20,24)