1-ethyl-3-[3-[4-(2-methylpropyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]propyl]thiourea

Systemtic Name: 1-ethyl-3-[3-[4-(2-methylpropyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]propyl]thiourea Openeye Name: 1-ethyl-3-[3-(4-isobutyl-5-methylsulfanyl-1,2,4-triazol-3-yl)propyl]thiourea CAS Name: 1-ethyl-3-[3-[4-(2-methylpropyl)-5-(methylthio)-1,2,4-triazol-3-yl]propyl]thiourea IUPAC Name: 1-ethyl-3-[3-[4-(2-methylpropyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]propyl]thiourea Traditional Name: 1-ethyl-3-[3-[4-isobutyl-5-(methylthio)-1,2,4-triazol-3-yl]propyl]thiourea Formula: C13H25N5S2 MolecularWeight: 315.5011

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=S)NCCCC1=NN=C(N1CC(C)C)SC

Isomeric SMILES

CCNC(=S)NCCCC1=NN=C(N1CC(C)C)SC

InChI

InChI=1S/C13H25N5S2/c1-5-14-12(19)15-8-6-7-11-16-17-13(20-4)18(11)9-10(2)3/h10H,5-9H2,1-4H3,(H2,14,15,19)