3-[[5-(4-bromophenyl)-4-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide

Systemtic Name: 3-[[5-(4-bromophenyl)-4-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide Openeye Name: 3-[[5-(4-bromophenyl)-4-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide CAS Name: 3-[[5-(4-bromophenyl)-4-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]thio]propanamide IUPAC Name: 3-[[5-(4-bromophenyl)-4-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide Traditional Name: 3-[[5-(4-bromophenyl)-4-p-phenetyl-1,2,4-triazol-3-yl]thio]propionamide Formula: C19H19BrN4O2S MolecularWeight: 447.34876

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=NN=C2SCCC(=O)N)C3=CC=C(C=C3)Br

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=NN=C2SCCC(=O)N)C3=CC=C(C=C3)Br

InChI

InChI=1S/C19H19BrN4O2S/c1-2-26-16-9-7-15(8-10-16)24-18(13-3-5-14(20)6-4-13)22-23-19(24)27-12-11-17(21)25/h3-10H,2,11-12H2,1H3,(H2,21,25)