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

Systemtic Name: (2S)-1-(2-methyl-1H-indol-3-yl)-2-[(4-methyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]propan-1-one Openeye Name: (2S)-1-(2-methyl-1H-indol-3-yl)-2-[[4-methyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]propan-1-one CAS Name: (2S)-1-(2-methyl-1H-indol-3-yl)-2-[[4-methyl-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]-1-propanone IUPAC Name: (2S)-1-(2-methyl-1H-indol-3-yl)-2-[(4-methyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]propan-1-one Traditional Name: (2S)-1-(2-methyl-1H-indol-3-yl)-2-[[4-methyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]propan-1-one Formula: C20H19N5OS MolecularWeight: 377.46276

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N1)C(=O)C(C)SC3=NN=C(N3C)C4=CN=CC=C4

Isomeric SMILES

CC1=C(C2=CC=CC=C2N1)C(=O)[C@H](C)SC3=NN=C(N3C)C4=CN=CC=C4

InChI

InChI=1S/C20H19N5OS/c1-12-17(15-8-4-5-9-16(15)22-12)18(26)13(2)27-20-24-23-19(25(20)3)14-7-6-10-21-11-14/h4-11,13,22H,1-3H3/t13-/m0/s1