1-(azocan-1-yl)-2-[(4-cyclopropyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone

Systemtic Name: 1-(azocan-1-yl)-2-[(4-cyclopropyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone Openeye Name: 1-(azocan-1-yl)-2-[(4-cyclopropyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone CAS Name: 1-(1-azocanyl)-2-[[4-cyclopropyl-5-(3-indolylidene)-1H-1,2,4-triazol-3-yl]thio]ethanone IUPAC Name: 1-(azocan-1-yl)-2-[(4-cyclopropyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone Traditional Name: 1-(azocan-1-yl)-2-[(4-cyclopropyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl)thio]ethanone Formula: C22H27N5OS MolecularWeight: 409.54768

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CCC1)C(=O)CSC2=NNC(=C3C=NC4=CC=CC=C43)N2C5CC5

Isomeric SMILES

C1CCCN(CCC1)C(=O)CSC2=NNC(=C3C=NC4=CC=CC=C43)N2C5CC5

InChI

InChI=1S/C22H27N5OS/c28-20(26-12-6-2-1-3-7-13-26)15-29-22-25-24-21(27(22)16-10-11-16)18-14-23-19-9-5-4-8-17(18)19/h4-5,8-9,14,16,24H,1-3,6-7,10-13,15H2