N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-methyl-4-nitro-benzamide

Systemtic Name: N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-methyl-4-nitro-benzamide Openeye Name: N-(3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-3-methyl-4-nitro-benzamide CAS Name: N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-methyl-4-nitrobenzamide IUPAC Name: N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-methyl-4-nitrobenzamide Traditional Name: N-(3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-3-methyl-4-nitro-benzamide Formula: C18H17N3O3S MolecularWeight: 355.41088

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C#N)NC(=O)C3=CC(=C(C=C3)[N+](=O)[O-])C

Isomeric SMILES

CC1CCC2=C(C1)SC(=C2C#N)NC(=O)C3=CC(=C(C=C3)[N+](=O)[O-])C

InChI

InChI=1S/C18H17N3O3S/c1-10-3-5-13-14(9-19)18(25-16(13)7-10)20-17(22)12-4-6-15(21(23)24)11(2)8-12/h4,6,8,10H,3,5,7H2,1-2H3,(H,20,22)