3-[(3-bromophenyl)methylsulfanyl]-4-cyclopropyl-5-(thiophen-2-ylmethyl)-1,2,4-triazole

Systemtic Name: 3-[(3-bromophenyl)methylsulfanyl]-4-cyclopropyl-5-(thiophen-2-ylmethyl)-1,2,4-triazole Openeye Name: 3-[(3-bromophenyl)methylsulfanyl]-4-cyclopropyl-5-(2-thienylmethyl)-1,2,4-triazole CAS Name: 3-[(3-bromophenyl)methylthio]-4-cyclopropyl-5-(thiophen-2-ylmethyl)-1,2,4-triazole IUPAC Name: 3-[(3-bromophenyl)methylsulfanyl]-4-cyclopropyl-5-(thiophen-2-ylmethyl)-1,2,4-triazole Traditional Name: 3-[(3-bromobenzyl)thio]-4-cyclopropyl-5-(2-thenyl)-1,2,4-triazole Formula: C17H16BrN3S2 MolecularWeight: 406.36304

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(=NN=C2SCC3=CC(=CC=C3)Br)CC4=CC=CS4

Isomeric SMILES

C1CC1N2C(=NN=C2SCC3=CC(=CC=C3)Br)CC4=CC=CS4

InChI

InChI=1S/C17H16BrN3S2/c18-13-4-1-3-12(9-13)11-23-17-20-19-16(21(17)14-6-7-14)10-15-5-2-8-22-15/h1-5,8-9,14H,6-7,10-11H2