4-[(phenylmethyl)amino]-3-propyl-1H-1,2,4-triazole-5-thione

Systemtic Name: 4-[(phenylmethyl)amino]-3-propyl-1H-1,2,4-triazole-5-thione Openeye Name: 4-(benzylamino)-3-propyl-1H-1,2,4-triazole-5-thione CAS Name: 4-[(phenylmethyl)amino]-3-propyl-1H-1,2,4-triazole-5-thione IUPAC Name: 4-(benzylamino)-3-propyl-1H-1,2,4-triazole-5-thione Traditional Name: 4-(benzylamino)-3-propyl-1H-1,2,4-triazole-5-thione Formula: C12H16N4S MolecularWeight: 248.34724

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NNC(=S)N1NCC2=CC=CC=C2

Isomeric SMILES

CCCC1=NNC(=S)N1NCC2=CC=CC=C2

InChI

InChI=1S/C12H16N4S/c1-2-6-11-14-15-12(17)16(11)13-9-10-7-4-3-5-8-10/h3-5,7-8,13H,2,6,9H2,1H3,(H,15,17)