4-bromanyl-N-[[5-[(3-methoxyphenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]benzenesulfonamide

Systemtic Name: 4-bromanyl-N-[[5-[(3-methoxyphenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]benzenesulfonamide Openeye Name: N-[[4-allyl-5-[(3-methoxyphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]-4-bromo-benzenesulfonamide CAS Name: 4-bromo-N-[[5-[(3-methoxyphenyl)methylthio]-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]benzenesulfonamide IUPAC Name: 4-bromo-N-[[5-[(3-methoxyphenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]benzenesulfonamide Traditional Name: N-[[4-allyl-5-(m-anisylthio)-1,2,4-triazol-3-yl]methyl]-4-bromo-benzenesulfonamide Formula: C20H21BrN4O3S2 MolecularWeight: 509.43974

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CSC2=NN=C(N2CC=C)CNS(=O)(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

COC1=CC=CC(=C1)CSC2=NN=C(N2CC=C)CNS(=O)(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C20H21BrN4O3S2/c1-3-11-25-19(13-22-30(26,27)18-9-7-16(21)8-10-18)23-24-20(25)29-14-15-5-4-6-17(12-15)28-2/h3-10,12,22H,1,11,13-14H2,2H3