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

Systemtic Name: 1-(7-ethyl-1H-indol-3-yl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-2-phenyl-ethanone Openeye Name: 1-(7-ethyl-1H-indol-3-yl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-2-phenyl-ethanone CAS Name: 1-(7-ethyl-1H-indol-3-yl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)thio]-2-phenylethanone IUPAC Name: 1-(7-ethyl-1H-indol-3-yl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-2-phenylethanone Traditional Name: 1-(7-ethyl-1H-indol-3-yl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)thio]-2-phenyl-ethanone Formula: C21H20N4OS MolecularWeight: 376.4747

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC2=C1NC=C2C(=O)C(C3=CC=CC=C3)SC4=NNC(=N4)C

Isomeric SMILES

CCC1=CC=CC2=C1NC=C2C(=O)C(C3=CC=CC=C3)SC4=NNC(=N4)C

InChI

InChI=1S/C21H20N4OS/c1-3-14-10-7-11-16-17(12-22-18(14)16)19(26)20(15-8-5-4-6-9-15)27-21-23-13(2)24-25-21/h4-12,20,22H,3H2,1-2H3,(H,23,24,25)