4-butan-2-yl-3-methyl-5-(phenylmethylsulfanyl)-1,2,4-triazole

Systemtic Name: 4-butan-2-yl-3-methyl-5-(phenylmethylsulfanyl)-1,2,4-triazole Openeye Name: 3-benzylsulfanyl-5-methyl-4-sec-butyl-1,2,4-triazole CAS Name: 4-butan-2-yl-3-methyl-5-(phenylmethylthio)-1,2,4-triazole IUPAC Name: 3-benzylsulfanyl-4-butan-2-yl-5-methyl-1,2,4-triazole Traditional Name: 3-(benzylthio)-5-methyl-4-sec-butyl-1,2,4-triazole Formula: C14H19N3S MolecularWeight: 261.38576

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1C(=NN=C1SCC2=CC=CC=C2)C

Isomeric SMILES

CCC(C)N1C(=NN=C1SCC2=CC=CC=C2)C

InChI

InChI=1S/C14H19N3S/c1-4-11(2)17-12(3)15-16-14(17)18-10-13-8-6-5-7-9-13/h5-9,11H,4,10H2,1-3H3