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

Systemtic Name: (2S)-2-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(7-ethyl-1H-indol-3-yl)-2-phenyl-ethanone Openeye Name: (2S)-2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(7-ethyl-1H-indol-3-yl)-2-phenyl-ethanone CAS Name: (2S)-2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]-1-(7-ethyl-1H-indol-3-yl)-2-phenylethanone IUPAC Name: (2S)-2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(7-ethyl-1H-indol-3-yl)-2-phenylethanone Traditional Name: (2S)-2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]-1-(7-ethyl-1H-indol-3-yl)-2-phenyl-ethanone Formula: C20H19N5OS MolecularWeight: 377.46276

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCC1=CC=CC2=C1NC=C2C(=O)[C@H](C3=CC=CC=C3)SC4=NNC(=N4)N

InChI

InChI=1S/C20H19N5OS/c1-2-12-9-6-10-14-15(11-22-16(12)14)17(26)18(13-7-4-3-5-8-13)27-20-23-19(21)24-25-20/h3-11,18,22H,2H2,1H3,(H3,21,23,24,25)/t18-/m0/s1