5-(2-bromophenyl)-3-(3-phenylpropylsulfanyl)-1H-1,2,4-triazole

Systemtic Name: 5-(2-bromophenyl)-3-(3-phenylpropylsulfanyl)-1H-1,2,4-triazole Openeye Name: 5-(2-bromophenyl)-3-(3-phenylpropylsulfanyl)-1H-1,2,4-triazole CAS Name: 5-(2-bromophenyl)-3-(3-phenylpropylthio)-1H-1,2,4-triazole IUPAC Name: 5-(2-bromophenyl)-3-(3-phenylpropylsulfanyl)-1H-1,2,4-triazole Traditional Name: 5-(2-bromophenyl)-3-(3-phenylpropylthio)-1H-1,2,4-triazole Formula: C17H16BrN3S MolecularWeight: 374.29804

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCSC2=NNC(=N2)C3=CC=CC=C3Br

Isomeric SMILES

C1=CC=C(C=C1)CCCSC2=NNC(=N2)C3=CC=CC=C3Br

InChI

InChI=1S/C17H16BrN3S/c18-15-11-5-4-10-14(15)16-19-17(21-20-16)22-12-6-9-13-7-2-1-3-8-13/h1-5,7-8,10-11H,6,9,12H2,(H,19,20,21)