2-[3,5-bis(phenylmethylsulfanyl)-1,2,4-triazol-1-yl]pyrimidine

Systemtic Name: 2-[3,5-bis(phenylmethylsulfanyl)-1,2,4-triazol-1-yl]pyrimidine Openeye Name: 2-[3,5-bis(benzylsulfanyl)-1,2,4-triazol-1-yl]pyrimidine CAS Name: 2-[3,5-bis(phenylmethylthio)-1,2,4-triazol-1-yl]pyrimidine IUPAC Name: 2-[3,5-bis(benzylsulfanyl)-1,2,4-triazol-1-yl]pyrimidine Traditional Name: 2-[3,5-bis(benzylthio)-1,2,4-triazol-1-yl]pyrimidine Formula: C20H17N5S2 MolecularWeight: 391.51248

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NN(C(=N2)SCC3=CC=CC=C3)C4=NC=CC=N4

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NN(C(=N2)SCC3=CC=CC=C3)C4=NC=CC=N4

InChI

InChI=1S/C20H17N5S2/c1-3-8-16(9-4-1)14-26-19-23-20(27-15-17-10-5-2-6-11-17)25(24-19)18-21-12-7-13-22-18/h1-13H,14-15H2