N,N-diethyl-3-[5-[2-(1-methyl-2-phenyl-indol-3-yl)-2-oxidanylidene-ethyl]sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]benzenesulfonamide

Systemtic Name: N,N-diethyl-3-[5-[2-(1-methyl-2-phenyl-indol-3-yl)-2-oxidanylidene-ethyl]sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]benzenesulfonamide Openeye Name: 3-[4-allyl-5-[2-(1-methyl-2-phenyl-indol-3-yl)-2-oxo-ethyl]sulfanyl-1,2,4-triazol-3-yl]-N,N-diethyl-benzenesulfonamide CAS Name: N,N-diethyl-3-[5-[[2-(1-methyl-2-phenyl-3-indolyl)-2-oxoethyl]thio]-4-prop-2-enyl-1,2,4-triazol-3-yl]benzenesulfonamide IUPAC Name: N,N-diethyl-3-[5-[2-(1-methyl-2-phenylindol-3-yl)-2-oxoethyl]sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]benzenesulfonamide Traditional Name: 3-[4-allyl-5-[[2-keto-2-(1-methyl-2-phenyl-indol-3-yl)ethyl]thio]-1,2,4-triazol-3-yl]-N,N-diethyl-benzenesulfonamide Formula: C32H33N5O3S2 MolecularWeight: 599.76612

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C2=NN=C(N2CC=C)SCC(=O)C3=C(N(C4=CC=CC=C43)C)C5=CC=CC=C5

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C2=NN=C(N2CC=C)SCC(=O)C3=C(N(C4=CC=CC=C43)C)C5=CC=CC=C5

InChI

InChI=1S/C32H33N5O3S2/c1-5-20-37-31(24-16-13-17-25(21-24)42(39,40)36(6-2)7-3)33-34-32(37)41-22-28(38)29-26-18-11-12-19-27(26)35(4)30(29)23-14-9-8-10-15-23/h5,8-19,21H,1,6-7,20,22H2,2-4H3