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

Systemtic Name: N-(3-bromophenyl)-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-(3-bromophenyl)propanamide CAS Name: N-(3-bromophenyl)-3-[[5-(methoxymethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]propanamide IUPAC Name: N-(3-bromophenyl)-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-(3-bromophenyl)propionamide Formula: C16H19BrN4O2S MolecularWeight: 411.31666

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19BrN4O2S/c1-3-8-21-14(11-23-2)19-20-16(21)24-9-7-15(22)18-13-6-4-5-12(17)10-13/h3-6,10H,1,7-9,11H2,2H3,(H,18,22)