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

Systemtic Name: 1-methyl-3-[4-[4-methyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-3-yl]phenyl]sulfanyl-urea Openeye Name: 1-[4-(5-benzylsulfanyl-4-methyl-1,2,4-triazol-3-yl)phenyl]sulfanyl-3-methyl-urea CAS Name: 1-methyl-3-[[4-[4-methyl-5-(phenylmethylthio)-1,2,4-triazol-3-yl]phenyl]thio]urea IUPAC Name: 1-[4-(5-benzylsulfanyl-4-methyl-1,2,4-triazol-3-yl)phenyl]sulfanyl-3-methylurea Traditional Name: 1-[[4-[5-(benzylthio)-4-methyl-1,2,4-triazol-3-yl]phenyl]thio]-3-methyl-urea Formula: C18H19N5OS2 MolecularWeight: 385.50636

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)NSC1=CC=C(C=C1)C2=NN=C(N2C)SCC3=CC=CC=C3

Isomeric SMILES

CNC(=O)NSC1=CC=C(C=C1)C2=NN=C(N2C)SCC3=CC=CC=C3

InChI

InChI=1S/C18H19N5OS2/c1-19-17(24)22-26-15-10-8-14(9-11-15)16-20-21-18(23(16)2)25-12-13-6-4-3-5-7-13/h3-11H,12H2,1-2H3,(H2,19,22,24)