2-(3-azanyl-5-phenethylsulfanyl-1,2,4-triazol-4-yl)-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]ethanamide

Systemtic Name: 2-(3-azanyl-5-phenethylsulfanyl-1,2,4-triazol-4-yl)-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]ethanamide Openeye Name: 2-(3-amino-5-phenethylsulfanyl-1,2,4-triazol-4-yl)-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]acetamide CAS Name: 2-[3-amino-5-(phenethylthio)-1,2,4-triazol-4-yl]-N-[4-[(4-methyl-1-piperazinyl)sulfonyl]phenyl]acetamide IUPAC Name: 2-(3-amino-5-phenethylsulfanyl-1,2,4-triazol-4-yl)-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]acetamide Traditional Name: 2-[3-amino-5-(phenethylthio)-1,2,4-triazol-4-yl]-N-[4-(4-methylpiperazino)sulfonylphenyl]acetamide Formula: C23H29N7O3S2 MolecularWeight: 515.65146

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CN3C(=NN=C3SCCC4=CC=CC=C4)N

Isomeric SMILES

CN1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CN3C(=NN=C3SCCC4=CC=CC=C4)N

InChI

InChI=1S/C23H29N7O3S2/c1-28-12-14-29(15-13-28)35(32,33)20-9-7-19(8-10-20)25-21(31)17-30-22(24)26-27-23(30)34-16-11-18-5-3-2-4-6-18/h2-10H,11-17H2,1H3,(H2,24,26)(H,25,31)