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

Systemtic Name: 1-methyl-3-[4-[4-methyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-3-yl]phenyl]thiourea Openeye Name: 1-[4-(5-benzylsulfanyl-4-methyl-1,2,4-triazol-3-yl)phenyl]-3-methyl-thiourea CAS Name: 1-methyl-3-[4-[4-methyl-5-(phenylmethylthio)-1,2,4-triazol-3-yl]phenyl]thiourea IUPAC Name: 1-[4-(5-benzylsulfanyl-4-methyl-1,2,4-triazol-3-yl)phenyl]-3-methylthiourea Traditional Name: 1-[4-[5-(benzylthio)-4-methyl-1,2,4-triazol-3-yl]phenyl]-3-methyl-thiourea Formula: C18H19N5S2 MolecularWeight: 369.50696

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=S)NC1=CC=C(C=C1)C2=NN=C(N2C)SCC3=CC=CC=C3

Isomeric SMILES

CNC(=S)NC1=CC=C(C=C1)C2=NN=C(N2C)SCC3=CC=CC=C3

InChI

InChI=1S/C18H19N5S2/c1-19-17(24)20-15-10-8-14(9-11-15)16-21-22-18(23(16)2)25-12-13-6-4-3-5-7-13/h3-11H,12H2,1-2H3,(H2,19,20,24)