4-[4-(4-bromophenyl)-5-(1,3-dioxolan-2-ylmethylsulfanyl)-1,2,4-triazol-3-yl]pyridine

Systemtic Name: 4-[4-(4-bromophenyl)-5-(1,3-dioxolan-2-ylmethylsulfanyl)-1,2,4-triazol-3-yl]pyridine Openeye Name: 4-[4-(4-bromophenyl)-5-(1,3-dioxolan-2-ylmethylsulfanyl)-1,2,4-triazol-3-yl]pyridine CAS Name: 4-[4-(4-bromophenyl)-5-(1,3-dioxolan-2-ylmethylthio)-1,2,4-triazol-3-yl]pyridine IUPAC Name: 4-[4-(4-bromophenyl)-5-(1,3-dioxolan-2-ylmethylsulfanyl)-1,2,4-triazol-3-yl]pyridine Traditional Name: 4-[4-(4-bromophenyl)-5-(1,3-dioxolan-2-ylmethylthio)-1,2,4-triazol-3-yl]pyridine Formula: C17H15BrN4O2S MolecularWeight: 419.2956

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Descriptors Computed from Structure

Canonical SMILES:

C1COC(O1)CSC2=NN=C(N2C3=CC=C(C=C3)Br)C4=CC=NC=C4

Isomeric SMILES

C1COC(O1)CSC2=NN=C(N2C3=CC=C(C=C3)Br)C4=CC=NC=C4

InChI

InChI=1S/C17H15BrN4O2S/c18-13-1-3-14(4-2-13)22-16(12-5-7-19-8-6-12)20-21-17(22)25-11-15-23-9-10-24-15/h1-8,15H,9-11H2