3-[(4-bromophenyl)methylsulfanyl]-5-(4,5-dimethylthiophen-3-yl)-4-prop-2-enyl-1,2,4-triazole

Systemtic Name: 3-[(4-bromophenyl)methylsulfanyl]-5-(4,5-dimethylthiophen-3-yl)-4-prop-2-enyl-1,2,4-triazole Openeye Name: 4-allyl-3-[(4-bromophenyl)methylsulfanyl]-5-(4,5-dimethyl-3-thienyl)-1,2,4-triazole CAS Name: 3-[(4-bromophenyl)methylthio]-5-(4,5-dimethyl-3-thiophenyl)-4-prop-2-enyl-1,2,4-triazole IUPAC Name: 3-[(4-bromophenyl)methylsulfanyl]-5-(4,5-dimethylthiophen-3-yl)-4-prop-2-enyl-1,2,4-triazole Traditional Name: 4-allyl-3-[(4-bromobenzyl)thio]-5-(4,5-dimethyl-3-thienyl)-1,2,4-triazole Formula: C18H18BrN3S2 MolecularWeight: 420.38962

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1C2=NN=C(N2CC=C)SCC3=CC=C(C=C3)Br)C

Isomeric SMILES

CC1=C(SC=C1C2=NN=C(N2CC=C)SCC3=CC=C(C=C3)Br)C

InChI

InChI=1S/C18H18BrN3S2/c1-4-9-22-17(16-11-23-13(3)12(16)2)20-21-18(22)24-10-14-5-7-15(19)8-6-14/h4-8,11H,1,9-10H2,2-3H3