3-(4-morpholin-4-ylsulfonylphenyl)-4-(phenylmethyl)-1H-1,2,4-triazole-5-thione

Systemtic Name: 3-(4-morpholin-4-ylsulfonylphenyl)-4-(phenylmethyl)-1H-1,2,4-triazole-5-thione Openeye Name: 4-benzyl-3-(4-morpholinosulfonylphenyl)-1H-1,2,4-triazole-5-thione CAS Name: 3-[4-(4-morpholinylsulfonyl)phenyl]-4-(phenylmethyl)-1H-1,2,4-triazole-5-thione IUPAC Name: 4-benzyl-3-(4-morpholin-4-ylsulfonylphenyl)-1H-1,2,4-triazole-5-thione Traditional Name: 4-benzyl-3-(4-morpholinosulfonylphenyl)-1H-1,2,4-triazole-5-thione Formula: C19H20N4O3S2 MolecularWeight: 416.5171

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC=C(C=C2)C3=NNC(=S)N3CC4=CC=CC=C4

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC=C(C=C2)C3=NNC(=S)N3CC4=CC=CC=C4

InChI

InChI=1S/C19H20N4O3S2/c24-28(25,22-10-12-26-13-11-22)17-8-6-16(7-9-17)18-20-21-19(27)23(18)14-15-4-2-1-3-5-15/h1-9H,10-14H2,(H,21,27)