4-methyl-3-propylsulfanyl-5-(4-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-triazole

Systemtic Name: 4-methyl-3-propylsulfanyl-5-(4-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-triazole Openeye Name: 4-methyl-3-propylsulfanyl-5-(4-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-triazole CAS Name: 4-methyl-3-(propylthio)-5-[4-(1-pyrrolidinylsulfonyl)phenyl]-1,2,4-triazole IUPAC Name: 4-methyl-3-propylsulfanyl-5-(4-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-triazole Traditional Name: 4-methyl-3-(propylthio)-5-(4-pyrrolidinosulfonylphenyl)-1,2,4-triazole Formula: C16H22N4O2S2 MolecularWeight: 366.50148

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=NN=C(N1C)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3

Isomeric SMILES

CCCSC1=NN=C(N1C)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C16H22N4O2S2/c1-3-12-23-16-18-17-15(19(16)2)13-6-8-14(9-7-13)24(21,22)20-10-4-5-11-20/h6-9H,3-5,10-12H2,1-2H3