N-(4-iodophenyl)-3-[[5-(methoxymethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]propanamide

Systemtic Name: N-(4-iodophenyl)-3-[[5-(methoxymethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]propanamide Openeye Name: 3-[[4-allyl-5-(methoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-iodophenyl)propanamide CAS Name: N-(4-iodophenyl)-3-[[5-(methoxymethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]propanamide IUPAC Name: N-(4-iodophenyl)-3-[[5-(methoxymethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]propanamide Traditional Name: 3-[[4-allyl-5-(methoxymethyl)-1,2,4-triazol-3-yl]thio]-N-(4-iodophenyl)propionamide Formula: C16H19IN4O2S MolecularWeight: 458.31713

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Descriptors Computed from Structure

Canonical SMILES:

COCC1=NN=C(N1CC=C)SCCC(=O)NC2=CC=C(C=C2)I

Isomeric SMILES

COCC1=NN=C(N1CC=C)SCCC(=O)NC2=CC=C(C=C2)I

InChI

InChI=1S/C16H19IN4O2S/c1-3-9-21-14(11-23-2)19-20-16(21)24-10-8-15(22)18-13-6-4-12(17)5-7-13/h3-7H,1,8-11H2,2H3,(H,18,22)