1-(1-ethanoyl-2,3-dihydroindol-5-yl)-2-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]propan-1-one

Systemtic Name: 1-(1-ethanoyl-2,3-dihydroindol-5-yl)-2-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]propan-1-one Openeye Name: 1-(1-acetylindolin-5-yl)-2-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]propan-1-one CAS Name: 1-(1-acetyl-2,3-dihydroindol-5-yl)-2-[(5-propyl-1H-1,2,4-triazol-3-yl)thio]-1-propanone IUPAC Name: 1-(1-acetyl-2,3-dihydroindol-5-yl)-2-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]propan-1-one Traditional Name: 1-(1-acetylindolin-5-yl)-2-[(5-propyl-1H-1,2,4-triazol-3-yl)thio]propan-1-one Formula: C18H22N4O2S MolecularWeight: 358.45788

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC(=NN1)SC(C)C(=O)C2=CC3=C(C=C2)N(CC3)C(=O)C

Isomeric SMILES

CCCC1=NC(=NN1)SC(C)C(=O)C2=CC3=C(C=C2)N(CC3)C(=O)C

InChI

InChI=1S/C18H22N4O2S/c1-4-5-16-19-18(21-20-16)25-11(2)17(24)14-6-7-15-13(10-14)8-9-22(15)12(3)23/h6-7,10-11H,4-5,8-9H2,1-3H3,(H,19,20,21)