5-ethyl-3-[(3-methylphenyl)methylsulfanyl]-2-phenyl-1,3-dihydro-1,2,4-triazole

Systemtic Name: 5-ethyl-3-[(3-methylphenyl)methylsulfanyl]-2-phenyl-1,3-dihydro-1,2,4-triazole Openeye Name: 5-ethyl-3-(m-tolylmethylsulfanyl)-2-phenyl-1,3-dihydro-1,2,4-triazole CAS Name: 5-ethyl-3-[(3-methylphenyl)methylthio]-2-phenyl-1,3-dihydro-1,2,4-triazole IUPAC Name: 5-ethyl-3-[(3-methylphenyl)methylsulfanyl]-2-phenyl-1,3-dihydro-1,2,4-triazole Traditional Name: 5-ethyl-3-[(3-methylbenzyl)thio]-2-phenyl-1,3-dihydro-1,2,4-triazole Formula: C18H21N3S MolecularWeight: 311.44444

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(N(N1)C2=CC=CC=C2)SCC3=CC=CC(=C3)C

Isomeric SMILES

CCC1=NC(N(N1)C2=CC=CC=C2)SCC3=CC=CC(=C3)C

InChI

InChI=1S/C18H21N3S/c1-3-17-19-18(21(20-17)16-10-5-4-6-11-16)22-13-15-9-7-8-14(2)12-15/h4-12,18H,3,13H2,1-2H3,(H,19,20)