(2S)-1-(2-methyl-1H-indol-3-yl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]propan-1-one

Systemtic Name: (2S)-1-(2-methyl-1H-indol-3-yl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]propan-1-one Openeye Name: (2S)-1-(2-methyl-1H-indol-3-yl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]propan-1-one CAS Name: (2S)-1-(2-methyl-1H-indol-3-yl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]-1-propanone IUPAC Name: (2S)-1-(2-methyl-1H-indol-3-yl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]propan-1-one Traditional Name: (2S)-1-(2-methyl-1H-indol-3-yl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]propan-1-one Formula: C20H18N4OS MolecularWeight: 362.44812

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N1)C(=O)C(C)SC3=NNC(=N3)C4=CC=CC=C4

Isomeric SMILES

CC1=C(C2=CC=CC=C2N1)C(=O)[C@H](C)SC3=NNC(=N3)C4=CC=CC=C4

InChI

InChI=1S/C20H18N4OS/c1-12-17(15-10-6-7-11-16(15)21-12)18(25)13(2)26-20-22-19(23-24-20)14-8-4-3-5-9-14/h3-11,13,21H,1-2H3,(H,22,23,24)/t13-/m0/s1