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

Systemtic Name: 4-(4-ethylphenyl)-3-methyl-5-(phenylmethylsulfanyl)-1,2,4-triazole Openeye Name: 3-benzylsulfanyl-4-(4-ethylphenyl)-5-methyl-1,2,4-triazole CAS Name: 4-(4-ethylphenyl)-3-methyl-5-(phenylmethylthio)-1,2,4-triazole IUPAC Name: 3-benzylsulfanyl-4-(4-ethylphenyl)-5-methyl-1,2,4-triazole Traditional Name: 3-(benzylthio)-4-(4-ethylphenyl)-5-methyl-1,2,4-triazole Formula: C18H19N3S MolecularWeight: 309.42856

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)N2C(=NN=C2SCC3=CC=CC=C3)C

Isomeric SMILES

CCC1=CC=C(C=C1)N2C(=NN=C2SCC3=CC=CC=C3)C

InChI

InChI=1S/C18H19N3S/c1-3-15-9-11-17(12-10-15)21-14(2)19-20-18(21)22-13-16-7-5-4-6-8-16/h4-12H,3,13H2,1-2H3