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

Systemtic Name: N-[(E)-1-(4-chloranyl-3-nitro-phenyl)ethylideneamino]-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide Openeye Name: N-[(E)-1-(4-chloro-3-nitro-phenyl)ethylideneamino]-5-methyl-4,5,6,7-tetrahydrobenzothiophene-2-carboxamide CAS Name: N-[(E)-1-(4-chloro-3-nitrophenyl)ethylideneamino]-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide IUPAC Name: N-[(E)-1-(4-chloro-3-nitrophenyl)ethylideneamino]-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide Traditional Name: N-[(E)-1-(4-chloro-3-nitro-phenyl)ethylideneamino]-5-methyl-4,5,6,7-tetrahydrobenzothiophene-2-carboxamide Formula: C18H18ClN3O3S MolecularWeight: 391.87182

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)C=C(S2)C(=O)NN=C(C)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1CCC2=C(C1)C=C(S2)C(=O)N/N=C(\C)/C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C18H18ClN3O3S/c1-10-3-6-16-13(7-10)9-17(26-16)18(23)21-20-11(2)12-4-5-14(19)15(8-12)22(24)25/h4-5,8-10H,3,6-7H2,1-2H3,(H,21,23)/b20-11+