1-ethyl-3-[[4-(4-methylphenyl)-5-(phenylmethylsulfanyl)-1,2,4-triazol-3-yl]methyl]urea

Systemtic Name: 1-ethyl-3-[[4-(4-methylphenyl)-5-(phenylmethylsulfanyl)-1,2,4-triazol-3-yl]methyl]urea Openeye Name: 1-[[5-benzylsulfanyl-4-(p-tolyl)-1,2,4-triazol-3-yl]methyl]-3-ethyl-urea CAS Name: 1-ethyl-3-[[4-(4-methylphenyl)-5-(phenylmethylthio)-1,2,4-triazol-3-yl]methyl]urea IUPAC Name: 1-[[5-benzylsulfanyl-4-(4-methylphenyl)-1,2,4-triazol-3-yl]methyl]-3-ethylurea Traditional Name: 1-[[5-(benzylthio)-4-(p-tolyl)-1,2,4-triazol-3-yl]methyl]-3-ethyl-urea Formula: C20H23N5OS MolecularWeight: 381.49452

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)NCC1=NN=C(N1C2=CC=C(C=C2)C)SCC3=CC=CC=C3

Isomeric SMILES

CCNC(=O)NCC1=NN=C(N1C2=CC=C(C=C2)C)SCC3=CC=CC=C3

InChI

InChI=1S/C20H23N5OS/c1-3-21-19(26)22-13-18-23-24-20(27-14-16-7-5-4-6-8-16)25(18)17-11-9-15(2)10-12-17/h4-12H,3,13-14H2,1-2H3,(H2,21,22,26)