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

Systemtic Name: 2-(3-azanyl-5-methylsulfanyl-1,2,4-triazol-4-yl)-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]ethanamide Openeye Name: 2-(3-amino-5-methylsulfanyl-1,2,4-triazol-4-yl)-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]acetamide CAS Name: 2-[3-amino-5-(methylthio)-1,2,4-triazol-4-yl]-N-[4-[(4-methyl-1-piperazinyl)sulfonyl]phenyl]acetamide IUPAC Name: 2-(3-amino-5-methylsulfanyl-1,2,4-triazol-4-yl)-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]acetamide Traditional Name: 2-[3-amino-5-(methylthio)-1,2,4-triazol-4-yl]-N-[4-(4-methylpiperazino)sulfonylphenyl]acetamide Formula: C16H23N7O3S2 MolecularWeight: 425.52892

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CN3C(=NN=C3SC)N

Isomeric SMILES

CN1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CN3C(=NN=C3SC)N

InChI

InChI=1S/C16H23N7O3S2/c1-21-7-9-22(10-8-21)28(25,26)13-5-3-12(4-6-13)18-14(24)11-23-15(17)19-20-16(23)27-2/h3-6H,7-11H2,1-2H3,(H2,17,19)(H,18,24)