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

Systemtic Name: N-(3-cyano-5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-nitro-benzamide Openeye Name: N-(3-cyano-5-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-4-nitro-benzamide CAS Name: N-(3-cyano-5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-nitrobenzamide IUPAC Name: N-(3-cyano-5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-nitrobenzamide Traditional Name: N-(3-cyano-5-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-4-nitro-benzamide Formula: C17H15N3O3S MolecularWeight: 341.3843

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)C(=C(S2)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-])C#N

Isomeric SMILES

CC1CCC2=C(C1)C(=C(S2)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-])C#N

InChI

InChI=1S/C17H15N3O3S/c1-10-2-7-15-13(8-10)14(9-18)17(24-15)19-16(21)11-3-5-12(6-4-11)20(22)23/h3-6,10H,2,7-8H2,1H3,(H,19,21)