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

Systemtic Name: (2S)-1-(2-methyl-1H-indol-3-yl)-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]propan-1-one Openeye Name: (2S)-1-(2-methyl-1H-indol-3-yl)-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]propan-1-one CAS Name: (2S)-1-(2-methyl-1H-indol-3-yl)-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)thio]-1-propanone IUPAC Name: (2S)-1-(2-methyl-1H-indol-3-yl)-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]propan-1-one Traditional Name: (2S)-1-(2-methyl-1H-indol-3-yl)-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)thio]propan-1-one Formula: C21H20N4OS MolecularWeight: 376.4747

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20N4OS/c1-13-18(16-11-7-8-12-17(16)22-13)19(26)14(2)27-21-24-23-20(25(21)3)15-9-5-4-6-10-15/h4-12,14,22H,1-3H3/t14-/m0/s1