1-(1H-indol-3-yl)-2-[[5-(thiophen-2-ylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propan-1-one

Systemtic Name: 1-(1H-indol-3-yl)-2-[[5-(thiophen-2-ylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propan-1-one Openeye Name: 1-(1H-indol-3-yl)-2-[[5-(2-thienylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propan-1-one CAS Name: 1-(1H-indol-3-yl)-2-[[5-(thiophen-2-ylmethyl)-1H-1,2,4-triazol-3-yl]thio]-1-propanone IUPAC Name: 1-(1H-indol-3-yl)-2-[[5-(thiophen-2-ylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propan-1-one Traditional Name: 1-(1H-indol-3-yl)-2-[[5-(2-thenyl)-1H-1,2,4-triazol-3-yl]thio]propan-1-one Formula: C18H16N4OS2 MolecularWeight: 368.47584

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CNC2=CC=CC=C21)SC3=NNC(=N3)CC4=CC=CS4

Isomeric SMILES

CC(C(=O)C1=CNC2=CC=CC=C21)SC3=NNC(=N3)CC4=CC=CS4

InChI

InChI=1S/C18H16N4OS2/c1-11(17(23)14-10-19-15-7-3-2-6-13(14)15)25-18-20-16(21-22-18)9-12-5-4-8-24-12/h2-8,10-11,19H,9H2,1H3,(H,20,21,22)