2-[[4-azanyl-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-iodanyl-4-methyl-phenyl)ethanamide

Systemtic Name: 2-[[4-azanyl-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-iodanyl-4-methyl-phenyl)ethanamide Openeye Name: 2-[[4-amino-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-iodo-4-methyl-phenyl)acetamide CAS Name: 2-[[4-amino-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]thio]-N-(3-iodo-4-methylphenyl)acetamide IUPAC Name: 2-[[4-amino-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-iodo-4-methylphenyl)acetamide Traditional Name: 2-[[4-amino-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]thio]-N-(3-iodo-4-methyl-phenyl)acetamide Formula: C18H18IN5O2S MolecularWeight: 495.33729

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CSC2=NN=C(N2N)C3=CC=CC=C3OC)I

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CSC2=NN=C(N2N)C3=CC=CC=C3OC)I

InChI

InChI=1S/C18H18IN5O2S/c1-11-7-8-12(9-14(11)19)21-16(25)10-27-18-23-22-17(24(18)20)13-5-3-4-6-15(13)26-2/h3-9H,10,20H2,1-2H3,(H,21,25)