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

Systemtic Name: N-[3-(4-dimethylaminophenyl)propyl]-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-benzamide Openeye Name: N-[3-(4-dimethylaminophenyl)propyl]-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-benzamide CAS Name: N-[3-(4-dimethylaminophenyl)propyl]-4-[(4-methyl-1,2,4-triazol-3-yl)thio]-3-nitrobenzamide IUPAC Name: N-[3-(4-dimethylaminophenyl)propyl]-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitrobenzamide Traditional Name: N-[3-(4-dimethylaminophenyl)propyl]-4-[(4-methyl-1,2,4-triazol-3-yl)thio]-3-nitro-benzamide Formula: C21H24N6O3S MolecularWeight: 440.51866

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NN=C1SC2=C(C=C(C=C2)C(=O)NCCCC3=CC=C(C=C3)N(C)C)[N+](=O)[O-]

Isomeric SMILES

CN1C=NN=C1SC2=C(C=C(C=C2)C(=O)NCCCC3=CC=C(C=C3)N(C)C)[N+](=O)[O-]

InChI

InChI=1S/C21H24N6O3S/c1-25(2)17-9-6-15(7-10-17)5-4-12-22-20(28)16-8-11-19(18(13-16)27(29)30)31-21-24-23-14-26(21)3/h6-11,13-14H,4-5,12H2,1-3H3,(H,22,28)