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

Systemtic Name: 2-(3-azanyl-5-ethylsulfanyl-1,2,4-triazol-4-yl)-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]ethanamide Openeye Name: 2-(3-amino-5-ethylsulfanyl-1,2,4-triazol-4-yl)-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]acetamide CAS Name: 2-[3-amino-5-(ethylthio)-1,2,4-triazol-4-yl]-N-[4-[(4-methyl-1-piperazinyl)sulfonyl]phenyl]acetamide IUPAC Name: 2-(3-amino-5-ethylsulfanyl-1,2,4-triazol-4-yl)-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]acetamide Traditional Name: 2-[3-amino-5-(ethylthio)-1,2,4-triazol-4-yl]-N-[4-(4-methylpiperazino)sulfonylphenyl]acetamide Formula: C17H25N7O3S2 MolecularWeight: 439.5555

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NN=C(N1CC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCN(CC3)C)N

Isomeric SMILES

CCSC1=NN=C(N1CC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCN(CC3)C)N

InChI

InChI=1S/C17H25N7O3S2/c1-3-28-17-21-20-16(18)24(17)12-15(25)19-13-4-6-14(7-5-13)29(26,27)23-10-8-22(2)9-11-23/h4-7H,3,8-12H2,1-2H3,(H2,18,20)(H,19,25)