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

Systemtic Name: 1-(4-methylphenyl)-3-[[4-methyl-5-(pyridin-3-ylmethylsulfanyl)-1,2,4-triazol-3-yl]methyl]urea Openeye Name: 1-[[4-methyl-5-(3-pyridylmethylsulfanyl)-1,2,4-triazol-3-yl]methyl]-3-(p-tolyl)urea CAS Name: 1-(4-methylphenyl)-3-[[4-methyl-5-(3-pyridinylmethylthio)-1,2,4-triazol-3-yl]methyl]urea IUPAC Name: 1-(4-methylphenyl)-3-[[4-methyl-5-(pyridin-3-ylmethylsulfanyl)-1,2,4-triazol-3-yl]methyl]urea Traditional Name: 1-[[4-methyl-5-(3-pyridylmethylthio)-1,2,4-triazol-3-yl]methyl]-3-(p-tolyl)urea Formula: C18H20N6OS MolecularWeight: 368.456

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)NCC2=NN=C(N2C)SCC3=CN=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)NCC2=NN=C(N2C)SCC3=CN=CC=C3

InChI

InChI=1S/C18H20N6OS/c1-13-5-7-15(8-6-13)21-17(25)20-11-16-22-23-18(24(16)2)26-12-14-4-3-9-19-10-14/h3-10H,11-12H2,1-2H3,(H2,20,21,25)