N-(2-chloranyl-4-nitro-phenyl)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: N-(2-chloranyl-4-nitro-phenyl)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: N-(2-chloro-4-nitro-phenyl)-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: N-(2-chloro-4-nitrophenyl)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: N-(2-chloro-4-nitrophenyl)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: N-(2-chloro-4-nitro-phenyl)-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C16H15ClN2O3S MolecularWeight: 350.8199

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC=C2C(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

CC1CCC2=C(C1)SC=C2C(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C16H15ClN2O3S/c1-9-2-4-11-12(8-23-15(11)6-9)16(20)18-14-5-3-10(19(21)22)7-13(14)17/h3,5,7-9H,2,4,6H2,1H3,(H,18,20)