1-(7-ethyl-1H-indol-3-yl)-2-[[4-methyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone

Systemtic Name: 1-(7-ethyl-1H-indol-3-yl)-2-[[4-methyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone Openeye Name: 2-[(5-benzyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-(7-ethyl-1H-indol-3-yl)ethanone CAS Name: 1-(7-ethyl-1H-indol-3-yl)-2-[[4-methyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]thio]ethanone IUPAC Name: 2-[(5-benzyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-(7-ethyl-1H-indol-3-yl)ethanone Traditional Name: 2-[(5-benzyl-4-methyl-1,2,4-triazol-3-yl)thio]-1-(7-ethyl-1H-indol-3-yl)ethanone Formula: C22H22N4OS MolecularWeight: 390.50128

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC2=C1NC=C2C(=O)CSC3=NN=C(N3C)CC4=CC=CC=C4

Isomeric SMILES

CCC1=CC=CC2=C1NC=C2C(=O)CSC3=NN=C(N3C)CC4=CC=CC=C4

InChI

InChI=1S/C22H22N4OS/c1-3-16-10-7-11-17-18(13-23-21(16)17)19(27)14-28-22-25-24-20(26(22)2)12-15-8-5-4-6-9-15/h4-11,13,23H,3,12,14H2,1-2H3