4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide

Systemtic Name: 4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide Openeye Name: 4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide CAS Name: 4-[(4-methyl-1,2,4-triazol-3-yl)thio]-3-nitro-N-[3-(4-phenyl-1-piperazinyl)propyl]benzamide IUPAC Name: 4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide Traditional Name: 4-[(4-methyl-1,2,4-triazol-3-yl)thio]-3-nitro-N-[3-(4-phenylpiperazino)propyl]benzamide Formula: C23H27N7O3S MolecularWeight: 481.57058

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=NN=C1SC2=C(C=C(C=C2)C(=O)NCCCN3CCN(CC3)C4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CN1C=NN=C1SC2=C(C=C(C=C2)C(=O)NCCCN3CCN(CC3)C4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H27N7O3S/c1-27-17-25-26-23(27)34-21-9-8-18(16-20(21)30(32)33)22(31)24-10-5-11-28-12-14-29(15-13-28)19-6-3-2-4-7-19/h2-4,6-9,16-17H,5,10-15H2,1H3,(H,24,31)