(5S)-N'-(3-cyanophenyl)carbonyl-5-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbohydrazide

Systemtic Name: (5S)-N'-(3-cyanophenyl)carbonyl-5-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbohydrazide Openeye Name: (5S)-N'-(3-cyanobenzoyl)-5-ethyl-4,5,6,7-tetrahydrobenzothiophene-2-carbohydrazide CAS Name: (5S)-N'-[(3-cyanophenyl)-oxomethyl]-5-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbohydrazide IUPAC Name: (5S)-N'-(3-cyanobenzoyl)-5-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbohydrazide Traditional Name: (5S)-N'-(3-cyanobenzoyl)-5-ethyl-4,5,6,7-tetrahydrobenzothiophene-2-carbohydrazide Formula: C19H19N3O2S MolecularWeight: 353.43806

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCC2=C(C1)C=C(S2)C(=O)NNC(=O)C3=CC=CC(=C3)C#N

Isomeric SMILES

CC[C@H]1CCC2=C(C1)C=C(S2)C(=O)NNC(=O)C3=CC=CC(=C3)C#N

InChI

InChI=1S/C19H19N3O2S/c1-2-12-6-7-16-15(8-12)10-17(25-16)19(24)22-21-18(23)14-5-3-4-13(9-14)11-20/h3-5,9-10,12H,2,6-8H2,1H3,(H,21,23)(H,22,24)/t12-/m0/s1