3-(4-methylphenyl)-5-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methylsulfanyl]-1,2,4-triazol-4-amine

Systemtic Name: 3-(4-methylphenyl)-5-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methylsulfanyl]-1,2,4-triazol-4-amine Openeye Name: 3-(p-tolyl)-5-[(5-pyrrolidin-1-ylsulfonyl-2-furyl)methylsulfanyl]-1,2,4-triazol-4-amine CAS Name: 3-(4-methylphenyl)-5-[[5-(1-pyrrolidinylsulfonyl)-2-furanyl]methylthio]-1,2,4-triazol-4-amine IUPAC Name: 3-(4-methylphenyl)-5-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methylsulfanyl]-1,2,4-triazol-4-amine Traditional Name: [3-(p-tolyl)-5-[(5-pyrrolidinosulfonyl-2-furyl)methylthio]-1,2,4-triazol-4-yl]amine Formula: C18H21N5O3S2 MolecularWeight: 419.52104

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN=C(N2N)SCC3=CC=C(O3)S(=O)(=O)N4CCCC4

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN=C(N2N)SCC3=CC=C(O3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C18H21N5O3S2/c1-13-4-6-14(7-5-13)17-20-21-18(23(17)19)27-12-15-8-9-16(26-15)28(24,25)22-10-2-3-11-22/h4-9H,2-3,10-12,19H2,1H3