3-[[4-[(4-methoxyphenyl)methylsulfanyl]pyrrolidin-2-yl]-methylsulfonyl-methyl]-5-phenyl-1,2,3-triazol-4-amine

Systemtic Name: 3-[[4-[(4-methoxyphenyl)methylsulfanyl]pyrrolidin-2-yl]-methylsulfonyl-methyl]-5-phenyl-1,2,3-triazol-4-amine Openeye Name: 3-[[4-[(4-methoxyphenyl)methylsulfanyl]pyrrolidin-2-yl]-methylsulfonyl-methyl]-5-phenyl-triazol-4-amine CAS Name: 3-[[4-[(4-methoxyphenyl)methylthio]-2-pyrrolidinyl]-methylsulfonylmethyl]-5-phenyl-4-triazolamine IUPAC Name: 3-[[4-[(4-methoxyphenyl)methylsulfanyl]pyrrolidin-2-yl]-methylsulfonylmethyl]-5-phenyltriazol-4-amine Traditional Name: [3-[mesyl-[4-(p-anisylthio)pyrrolidin-2-yl]methyl]-5-phenyl-triazol-4-yl]amine Formula: C22H27N5O3S2 MolecularWeight: 473.61148

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CSC2CC(NC2)C(N3C(=C(N=N3)C4=CC=CC=C4)N)S(=O)(=O)C

Isomeric SMILES

COC1=CC=C(C=C1)CSC2CC(NC2)C(N3C(=C(N=N3)C4=CC=CC=C4)N)S(=O)(=O)C

InChI

InChI=1S/C22H27N5O3S2/c1-30-17-10-8-15(9-11-17)14-31-18-12-19(24-13-18)22(32(2,28)29)27-21(23)20(25-26-27)16-6-4-3-5-7-16/h3-11,18-19,22,24H,12-14,23H2,1-2H3