N-[(5-bromanylthiophen-2-yl)methyl]-N-prop-2-enyl-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide

Systemtic Name: N-[(5-bromanylthiophen-2-yl)methyl]-N-prop-2-enyl-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide Openeye Name: N-allyl-N-[(5-bromo-2-thienyl)methyl]-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide CAS Name: N-[(5-bromo-2-thiophenyl)methyl]-N-prop-2-enyl-4-[(1H-1,2,4-triazol-5-ylthio)methyl]benzamide IUPAC Name: N-[(5-bromothiophen-2-yl)methyl]-N-prop-2-enyl-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide Traditional Name: N-allyl-N-[(5-bromo-2-thienyl)methyl]-4-[(1H-1,2,4-triazol-5-ylthio)methyl]benzamide Formula: C18H17BrN4OS2 MolecularWeight: 449.38778

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN(CC1=CC=C(S1)Br)C(=O)C2=CC=C(C=C2)CSC3=NC=NN3

Isomeric SMILES

C=CCN(CC1=CC=C(S1)Br)C(=O)C2=CC=C(C=C2)CSC3=NC=NN3

InChI

InChI=1S/C18H17BrN4OS2/c1-2-9-23(10-15-7-8-16(19)26-15)17(24)14-5-3-13(4-6-14)11-25-18-20-12-21-22-18/h2-8,12H,1,9-11H2,(H,20,21,22)