2-[[5-[[(4-iodanyl-2-methyl-phenyl)amino]methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanehydrazide

Systemtic Name: 2-[[5-[[(4-iodanyl-2-methyl-phenyl)amino]methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanehydrazide Openeye Name: 2-[[5-[(4-iodo-2-methyl-anilino)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetohydrazide CAS Name: 2-[[5-[(4-iodo-2-methylanilino)methyl]-4-phenyl-1,2,4-triazol-3-yl]thio]acetohydrazide IUPAC Name: 2-[[5-[(4-iodo-2-methylanilino)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetohydrazide Traditional Name: 2-[[5-[(4-iodo-2-methyl-anilino)methyl]-4-phenyl-1,2,4-triazol-3-yl]thio]acetohydrazide Formula: C18H19IN6OS MolecularWeight: 494.35253

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)I)NCC2=NN=C(N2C3=CC=CC=C3)SCC(=O)NN

Isomeric SMILES

CC1=C(C=CC(=C1)I)NCC2=NN=C(N2C3=CC=CC=C3)SCC(=O)NN

InChI

InChI=1S/C18H19IN6OS/c1-12-9-13(19)7-8-15(12)21-10-16-23-24-18(27-11-17(26)22-20)25(16)14-5-3-2-4-6-14/h2-9,21H,10-11,20H2,1H3,(H,22,26)