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

Systemtic Name: 1-(azepan-1-yl)-2-[(4-ethyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone Openeye Name: 1-(azepan-1-yl)-2-[(4-ethyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone CAS Name: 1-(1-azepanyl)-2-[[4-ethyl-5-(3-indolylidene)-1H-1,2,4-triazol-3-yl]thio]ethanone IUPAC Name: 1-(azepan-1-yl)-2-[(4-ethyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone Traditional Name: 1-(azepan-1-yl)-2-[(4-ethyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl)thio]ethanone Formula: C20H25N5OS MolecularWeight: 383.5104

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C2C=NC3=CC=CC=C32)NN=C1SCC(=O)N4CCCCCC4

Isomeric SMILES

CCN1C(=C2C=NC3=CC=CC=C32)NN=C1SCC(=O)N4CCCCCC4

InChI

InChI=1S/C20H25N5OS/c1-2-25-19(16-13-21-17-10-6-5-9-15(16)17)22-23-20(25)27-14-18(26)24-11-7-3-4-8-12-24/h5-6,9-10,13,22H,2-4,7-8,11-12,14H2,1H3