3,4-bis(chloranyl)-N-[1-[4-methyl-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]ethyl]benzamide

Systemtic Name: 3,4-bis(chloranyl)-N-[1-[4-methyl-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]ethyl]benzamide Openeye Name: 3,4-dichloro-N-[1-[4-methyl-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]ethyl]benzamide CAS Name: 3,4-dichloro-N-[1-[4-methyl-5-[(4-nitrophenyl)methylthio]-1,2,4-triazol-3-yl]ethyl]benzamide IUPAC Name: 3,4-dichloro-N-[1-[4-methyl-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]ethyl]benzamide Traditional Name: 3,4-dichloro-N-[1-[4-methyl-5-[(4-nitrobenzyl)thio]-1,2,4-triazol-3-yl]ethyl]benzamide Formula: C19H17Cl2N5O3S MolecularWeight: 466.34098

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NN=C(N1C)SCC2=CC=C(C=C2)[N+](=O)[O-])NC(=O)C3=CC(=C(C=C3)Cl)Cl

Isomeric SMILES

CC(C1=NN=C(N1C)SCC2=CC=C(C=C2)[N+](=O)[O-])NC(=O)C3=CC(=C(C=C3)Cl)Cl

InChI

InChI=1S/C19H17Cl2N5O3S/c1-11(22-18(27)13-5-8-15(20)16(21)9-13)17-23-24-19(25(17)2)30-10-12-3-6-14(7-4-12)26(28)29/h3-9,11H,10H2,1-2H3,(H,22,27)