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

Systemtic Name: 2-[(4-azanyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone Openeye Name: 2-[(4-amino-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone CAS Name: 2-[(4-amino-5-methyl-1,2,4-triazol-3-yl)thio]-1-(4-phenyl-1-piperazinyl)ethanone IUPAC Name: 2-[(4-amino-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone Traditional Name: 2-[(4-amino-5-methyl-1,2,4-triazol-3-yl)thio]-1-(4-phenylpiperazino)ethanone Formula: C15H20N6OS MolecularWeight: 332.4239

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1N)SCC(=O)N2CCN(CC2)C3=CC=CC=C3

Isomeric SMILES

CC1=NN=C(N1N)SCC(=O)N2CCN(CC2)C3=CC=CC=C3

InChI

InChI=1S/C15H20N6OS/c1-12-17-18-15(21(12)16)23-11-14(22)20-9-7-19(8-10-20)13-5-3-2-4-6-13/h2-6H,7-11,16H2,1H3