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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N1)C(=O)C(C)SC3=NN=CN3C4=CC=CC=C4

Isomeric SMILES

CC1=C(C2=CC=CC=C2N1)C(=O)[C@H](C)SC3=NN=CN3C4=CC=CC=C4

InChI

InChI=1S/C20H18N4OS/c1-13-18(16-10-6-7-11-17(16)22-13)19(25)14(2)26-20-23-21-12-24(20)15-8-4-3-5-9-15/h3-12,14,22H,1-2H3/t14-/m0/s1