4-(3-methoxypropyl)-3-[(phenylmethylsulfanyl)methyl]-1H-1,2,4-triazole-5-thione

Systemtic Name: 4-(3-methoxypropyl)-3-[(phenylmethylsulfanyl)methyl]-1H-1,2,4-triazole-5-thione Openeye Name: 3-(benzylsulfanylmethyl)-4-(3-methoxypropyl)-1H-1,2,4-triazole-5-thione CAS Name: 4-(3-methoxypropyl)-3-[(phenylmethylthio)methyl]-1H-1,2,4-triazole-5-thione IUPAC Name: 3-(benzylsulfanylmethyl)-4-(3-methoxypropyl)-1H-1,2,4-triazole-5-thione Traditional Name: 3-[(benzylthio)methyl]-4-(3-methoxypropyl)-1H-1,2,4-triazole-5-thione Formula: C14H19N3OS2 MolecularWeight: 309.45016

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COCCCN1C(=NNC1=S)CSCC2=CC=CC=C2

Isomeric SMILES

COCCCN1C(=NNC1=S)CSCC2=CC=CC=C2

InChI

InChI=1S/C14H19N3OS2/c1-18-9-5-8-17-13(15-16-14(17)19)11-20-10-12-6-3-2-4-7-12/h2-4,6-7H,5,8-11H2,1H3,(H,16,19)