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

Systemtic Name: 1-(7-ethyl-1H-indol-3-yl)-2-[[5-methyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone Openeye Name: 2-[(4-benzyl-5-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-[[5-methyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]thio]ethanone IUPAC Name: 2-[(4-benzyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-(7-ethyl-1H-indol-3-yl)ethanone Traditional Name: 2-[(4-benzyl-5-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(N3CC4=CC=CC=C4)C

Isomeric SMILES

CCC1=CC=CC2=C1NC=C2C(=O)CSC3=NN=C(N3CC4=CC=CC=C4)C

InChI

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