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

Systemtic Name: 1-(azepan-1-yl)-2-[[5-indol-3-ylidene-4-(2-methoxyethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanone Openeye Name: 1-(azepan-1-yl)-2-[[5-indol-3-ylidene-4-(2-methoxyethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanone CAS Name: 1-(1-azepanyl)-2-[[5-(3-indolylidene)-4-(2-methoxyethyl)-1H-1,2,4-triazol-3-yl]thio]ethanone IUPAC Name: 1-(azepan-1-yl)-2-[[5-indol-3-ylidene-4-(2-methoxyethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanone Traditional Name: 1-(azepan-1-yl)-2-[[5-indol-3-ylidene-4-(2-methoxyethyl)-1H-1,2,4-triazol-3-yl]thio]ethanone Formula: C21H27N5O2S MolecularWeight: 413.53638

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Descriptors Computed from Structure

Canonical SMILES:

COCCN1C(=C2C=NC3=CC=CC=C32)NN=C1SCC(=O)N4CCCCCC4

Isomeric SMILES

COCCN1C(=C2C=NC3=CC=CC=C32)NN=C1SCC(=O)N4CCCCCC4

InChI

InChI=1S/C21H27N5O2S/c1-28-13-12-26-20(17-14-22-18-9-5-4-8-16(17)18)23-24-21(26)29-15-19(27)25-10-6-2-3-7-11-25/h4-5,8-9,14,23H,2-3,6-7,10-13,15H2,1H3