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

Systemtic Name: N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-benzamide Openeye Name: N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-benzamide CAS Name: N-[2-methyl-4-(4-methyl-1-piperazinyl)phenyl]-4-[(4-methyl-1,2,4-triazol-3-yl)thio]-3-nitrobenzamide IUPAC Name: N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitrobenzamide Traditional Name: N-[2-methyl-4-(4-methylpiperazino)phenyl]-4-[(4-methyl-1,2,4-triazol-3-yl)thio]-3-nitro-benzamide Formula: C22H25N7O3S MolecularWeight: 467.544

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N2CCN(CC2)C)NC(=O)C3=CC(=C(C=C3)SC4=NN=CN4C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)N2CCN(CC2)C)NC(=O)C3=CC(=C(C=C3)SC4=NN=CN4C)[N+](=O)[O-]

InChI

InChI=1S/C22H25N7O3S/c1-15-12-17(28-10-8-26(2)9-11-28)5-6-18(15)24-21(30)16-4-7-20(19(13-16)29(31)32)33-22-25-23-14-27(22)3/h4-7,12-14H,8-11H2,1-3H3,(H,24,30)