3-[4-[(2S)-butan-2-yl]-5-propan-2-ylsulfanyl-1,2,4-triazol-3-yl]-N,N-diethyl-benzenesulfonamide

Systemtic Name: 3-[4-[(2S)-butan-2-yl]-5-propan-2-ylsulfanyl-1,2,4-triazol-3-yl]-N,N-diethyl-benzenesulfonamide Openeye Name: N,N-diethyl-3-[5-isopropylsulfanyl-4-[(1S)-1-methylpropyl]-1,2,4-triazol-3-yl]benzenesulfonamide CAS Name: 3-[4-[(2S)-butan-2-yl]-5-(propan-2-ylthio)-1,2,4-triazol-3-yl]-N,N-diethylbenzenesulfonamide IUPAC Name: 3-[4-[(2S)-butan-2-yl]-5-propan-2-ylsulfanyl-1,2,4-triazol-3-yl]-N,N-diethylbenzenesulfonamide Traditional Name: N,N-diethyl-3-[5-(isopropylthio)-4-[(1S)-1-methylpropyl]-1,2,4-triazol-3-yl]benzenesulfonamide Formula: C19H30N4O2S2 MolecularWeight: 410.5971

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1C(=NN=C1SC(C)C)C2=CC(=CC=C2)S(=O)(=O)N(CC)CC

Isomeric SMILES

CC[C@H](C)N1C(=NN=C1SC(C)C)C2=CC(=CC=C2)S(=O)(=O)N(CC)CC

InChI

InChI=1S/C19H30N4O2S2/c1-7-15(6)23-18(20-21-19(23)26-14(4)5)16-11-10-12-17(13-16)27(24,25)22(8-2)9-3/h10-15H,7-9H2,1-6H3/t15-/m0/s1