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

Systemtic Name: N-(4-iodophenyl)-3-[[5-(methoxymethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]propanamide Openeye Name: N-(4-iodophenyl)-3-[[5-(methoxymethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]propanamide CAS Name: N-(4-iodophenyl)-3-[[5-(methoxymethyl)-4-phenyl-1,2,4-triazol-3-yl]thio]propanamide IUPAC Name: N-(4-iodophenyl)-3-[[5-(methoxymethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]propanamide Traditional Name: N-(4-iodophenyl)-3-[[5-(methoxymethyl)-4-phenyl-1,2,4-triazol-3-yl]thio]propionamide Formula: C19H19IN4O2S MolecularWeight: 494.34923

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Descriptors Computed from Structure

Canonical SMILES:

COCC1=NN=C(N1C2=CC=CC=C2)SCCC(=O)NC3=CC=C(C=C3)I

Isomeric SMILES

COCC1=NN=C(N1C2=CC=CC=C2)SCCC(=O)NC3=CC=C(C=C3)I

InChI

InChI=1S/C19H19IN4O2S/c1-26-13-17-22-23-19(24(17)16-5-3-2-4-6-16)27-12-11-18(25)21-15-9-7-14(20)8-10-15/h2-10H,11-13H2,1H3,(H,21,25)