5-[(2E)-2-(cyanomethylidene)spiro[1H-indole-3,1'-cyclohexane]-5-yl]thiophene-2-carbonitrile

Systemtic Name: 5-[(2E)-2-(cyanomethylidene)spiro[1H-indole-3,1'-cyclohexane]-5-yl]thiophene-2-carbonitrile Openeye Name: 5-[(2'E)-2'-(cyanomethylene)spiro[cyclohexane-1,3'-indoline]-5'-yl]thiophene-2-carbonitrile CAS Name: 5-[(2E)-2-(cyanomethylidene)-5-spiro[1H-indole-3,1'-cyclohexane]yl]-2-thiophenecarbonitrile IUPAC Name: 5-[(2E)-2-(cyanomethylidene)spiro[1H-indole-3,1'-cyclohexane]-5-yl]thiophene-2-carbonitrile Traditional Name: 5-[(2'E)-2'-(cyanomethylene)spiro[cyclohexane-1,3'-indoline]-5'-yl]thiophene-2-carbonitrile Formula: C20H17N3S MolecularWeight: 331.43408

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2(CC1)C3=C(C=CC(=C3)C4=CC=C(S4)C#N)NC2=CC#N

Isomeric SMILES

C1CCC\2(CC1)C3=C(C=CC(=C3)C4=CC=C(S4)C#N)N/C2=C/C#N

InChI

InChI=1S/C20H17N3S/c21-11-8-19-20(9-2-1-3-10-20)16-12-14(4-6-17(16)23-19)18-7-5-15(13-22)24-18/h4-8,12,23H,1-3,9-10H2/b19-8+