2-[[5-[[(4-iodophenyl)amino]methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methoxyphenyl)ethanamide

Systemtic Name: 2-[[5-[[(4-iodophenyl)amino]methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methoxyphenyl)ethanamide Openeye Name: 2-[[4-allyl-5-[(4-iodoanilino)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methoxyphenyl)acetamide CAS Name: 2-[[5-[(4-iodoanilino)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]-N-(2-methoxyphenyl)acetamide IUPAC Name: 2-[[5-[(4-iodoanilino)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methoxyphenyl)acetamide Traditional Name: 2-[[4-allyl-5-[(4-iodoanilino)methyl]-1,2,4-triazol-3-yl]thio]-N-(2-methoxyphenyl)acetamide Formula: C21H22IN5O2S MolecularWeight: 535.40115

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1NC(=O)CSC2=NN=C(N2CC=C)CNC3=CC=C(C=C3)I

Isomeric SMILES

COC1=CC=CC=C1NC(=O)CSC2=NN=C(N2CC=C)CNC3=CC=C(C=C3)I

InChI

InChI=1S/C21H22IN5O2S/c1-3-12-27-19(13-23-16-10-8-15(22)9-11-16)25-26-21(27)30-14-20(28)24-17-6-4-5-7-18(17)29-2/h3-11,23H,1,12-14H2,2H3,(H,24,28)