1-[1-butan-2-ylsulfanyl-2-[4-(phenylmethyl)sulfinylphenyl]ethyl]-1,2,4-triazole

Systemtic Name: 1-[1-butan-2-ylsulfanyl-2-[4-(phenylmethyl)sulfinylphenyl]ethyl]-1,2,4-triazole Openeye Name: 1-[2-(4-benzylsulfinylphenyl)-1-sec-butylsulfanyl-ethyl]-1,2,4-triazole CAS Name: 1-[1-(butan-2-ylthio)-2-[4-(phenylmethyl)sulfinylphenyl]ethyl]-1,2,4-triazole IUPAC Name: 1-[2-(4-benzylsulfinylphenyl)-1-butan-2-ylsulfanylethyl]-1,2,4-triazole Traditional Name: 1-[2-(4-benzylsulfinylphenyl)-1-(sec-butylthio)ethyl]-1,2,4-triazole Formula: C21H25N3OS2 MolecularWeight: 399.5727

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)SC(CC1=CC=C(C=C1)S(=O)CC2=CC=CC=C2)N3C=NC=N3

Isomeric SMILES

CCC(C)SC(CC1=CC=C(C=C1)S(=O)CC2=CC=CC=C2)N3C=NC=N3

InChI

InChI=1S/C21H25N3OS2/c1-3-17(2)26-21(24-16-22-15-23-24)13-18-9-11-20(12-10-18)27(25)14-19-7-5-4-6-8-19/h4-12,15-17,21H,3,13-14H2,1-2H3