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

Systemtic Name: N-[4-(4-ethylpiperazin-1-yl)-2-methyl-phenyl]-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-benzamide Openeye Name: N-[4-(4-ethylpiperazin-1-yl)-2-methyl-phenyl]-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-benzamide CAS Name: N-[4-(4-ethyl-1-piperazinyl)-2-methylphenyl]-4-[(4-methyl-1,2,4-triazol-3-yl)thio]-3-nitrobenzamide IUPAC Name: N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitrobenzamide Traditional Name: N-[4-(4-ethylpiperazino)-2-methyl-phenyl]-4-[(4-methyl-1,2,4-triazol-3-yl)thio]-3-nitro-benzamide Formula: C23H27N7O3S MolecularWeight: 481.57058

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=CC(=C(C=C2)NC(=O)C3=CC(=C(C=C3)SC4=NN=CN4C)[N+](=O)[O-])C

Isomeric SMILES

CCN1CCN(CC1)C2=CC(=C(C=C2)NC(=O)C3=CC(=C(C=C3)SC4=NN=CN4C)[N+](=O)[O-])C

InChI

InChI=1S/C23H27N7O3S/c1-4-28-9-11-29(12-10-28)18-6-7-19(16(2)13-18)25-22(31)17-5-8-21(20(14-17)30(32)33)34-23-26-24-15-27(23)3/h5-8,13-15H,4,9-12H2,1-3H3,(H,25,31)