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

Systemtic Name: (2S)-1-(1H-indol-3-yl)-2-[(4-pentyl-1,2,4-triazol-3-yl)sulfanyl]propan-1-one Openeye Name: (2S)-1-(1H-indol-3-yl)-2-[(4-pentyl-1,2,4-triazol-3-yl)sulfanyl]propan-1-one CAS Name: (2S)-1-(1H-indol-3-yl)-2-[(4-pentyl-1,2,4-triazol-3-yl)thio]-1-propanone IUPAC Name: (2S)-1-(1H-indol-3-yl)-2-[(4-pentyl-1,2,4-triazol-3-yl)sulfanyl]propan-1-one Traditional Name: (2S)-2-[(4-amyl-1,2,4-triazol-3-yl)thio]-1-(1H-indol-3-yl)propan-1-one Formula: C18H22N4OS MolecularWeight: 342.45848

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C=NN=C1SC(C)C(=O)C2=CNC3=CC=CC=C32

Isomeric SMILES

CCCCCN1C=NN=C1S[C@@H](C)C(=O)C2=CNC3=CC=CC=C32

InChI

InChI=1S/C18H22N4OS/c1-3-4-7-10-22-12-20-21-18(22)24-13(2)17(23)15-11-19-16-9-6-5-8-14(15)16/h5-6,8-9,11-13,19H,3-4,7,10H2,1-2H3/t13-/m0/s1