1-(1-ethylsulfonyl-2,3-dihydroindol-5-yl)-2-[(5-methyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]ethanone

Systemtic Name: 1-(1-ethylsulfonyl-2,3-dihydroindol-5-yl)-2-[(5-methyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]ethanone Openeye Name: 2-[(4-allyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-(1-ethylsulfonylindolin-5-yl)ethanone CAS Name: 1-(1-ethylsulfonyl-2,3-dihydroindol-5-yl)-2-[(5-methyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]ethanone IUPAC Name: 1-(1-ethylsulfonyl-2,3-dihydroindol-5-yl)-2-[(5-methyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]ethanone Traditional Name: 2-[(4-allyl-5-methyl-1,2,4-triazol-3-yl)thio]-1-(1-esylindolin-5-yl)ethanone Formula: C18H22N4O3S2 MolecularWeight: 406.52228

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CCC2=C1C=CC(=C2)C(=O)CSC3=NN=C(N3CC=C)C

Isomeric SMILES

CCS(=O)(=O)N1CCC2=C1C=CC(=C2)C(=O)CSC3=NN=C(N3CC=C)C

InChI

InChI=1S/C18H22N4O3S2/c1-4-9-21-13(3)19-20-18(21)26-12-17(23)15-6-7-16-14(11-15)8-10-22(16)27(24,25)5-2/h4,6-7,11H,1,5,8-10,12H2,2-3H3