(2S)-1-(7-ethyl-1H-indol-3-yl)-2-[(4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-2-phenyl-ethanone

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC2=C1NC=C2C(=O)C(C3=CC=CC=C3)SC4=NN=CN4CC

Isomeric SMILES

CCC1=CC=CC2=C1NC=C2C(=O)[C@H](C3=CC=CC=C3)SC4=NN=CN4CC

InChI

InChI=1S/C22H22N4OS/c1-3-15-11-8-12-17-18(13-23-19(15)17)20(27)21(16-9-6-5-7-10-16)28-22-25-24-14-26(22)4-2/h5-14,21,23H,3-4H2,1-2H3/t21-/m0/s1