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

Systemtic Name: 1-[3-[4-(2-methylpropyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]propyl]-3-phenethyl-thiourea Openeye Name: 1-[3-(4-isobutyl-5-methylsulfanyl-1,2,4-triazol-3-yl)propyl]-3-phenethyl-thiourea CAS Name: 1-[3-[4-(2-methylpropyl)-5-(methylthio)-1,2,4-triazol-3-yl]propyl]-3-phenethylthiourea IUPAC Name: 1-[3-[4-(2-methylpropyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]propyl]-3-phenethylthiourea Traditional Name: 1-[3-[4-isobutyl-5-(methylthio)-1,2,4-triazol-3-yl]propyl]-3-phenethyl-thiourea Formula: C19H29N5S2 MolecularWeight: 391.59706

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=NN=C1SC)CCCNC(=S)NCCC2=CC=CC=C2

Isomeric SMILES

CC(C)CN1C(=NN=C1SC)CCCNC(=S)NCCC2=CC=CC=C2

InChI

InChI=1S/C19H29N5S2/c1-15(2)14-24-17(22-23-19(24)26-3)10-7-12-20-18(25)21-13-11-16-8-5-4-6-9-16/h4-6,8-9,15H,7,10-14H2,1-3H3,(H2,20,21,25)