2-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1-[4-(2-methoxyphenyl)-2-methyl-piperazin-1-yl]ethanone

Systemtic Name: 2-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1-[4-(2-methoxyphenyl)-2-methyl-piperazin-1-yl]ethanone Openeye Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-1-[4-(2-methoxyphenyl)-2-methyl-piperazin-1-yl]ethanone CAS Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]-1-[4-(2-methoxyphenyl)-2-methyl-1-piperazinyl]ethanone IUPAC Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-1-[4-(2-methoxyphenyl)-2-methylpiperazin-1-yl]ethanone Traditional Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]-1-[4-(2-methoxyphenyl)-2-methyl-piperazino]ethanone Formula: C16H22N6O2S MolecularWeight: 362.44988

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)CSC2=NNC(=N2)N)C3=CC=CC=C3OC

Isomeric SMILES

CC1CN(CCN1C(=O)CSC2=NNC(=N2)N)C3=CC=CC=C3OC

InChI

InChI=1S/C16H22N6O2S/c1-11-9-21(12-5-3-4-6-13(12)24-2)7-8-22(11)14(23)10-25-16-18-15(17)19-20-16/h3-6,11H,7-10H2,1-2H3,(H3,17,18,19,20)