2-[(4-phenyl-5-propan-2-ylsulfanyl-1,2,4-triazol-3-yl)methylsulfanyl]pyrimidine

Systemtic Name: 2-[(4-phenyl-5-propan-2-ylsulfanyl-1,2,4-triazol-3-yl)methylsulfanyl]pyrimidine Openeye Name: 2-[(5-isopropylsulfanyl-4-phenyl-1,2,4-triazol-3-yl)methylsulfanyl]pyrimidine CAS Name: 2-[[4-phenyl-5-(propan-2-ylthio)-1,2,4-triazol-3-yl]methylthio]pyrimidine IUPAC Name: 2-[(4-phenyl-5-propan-2-ylsulfanyl-1,2,4-triazol-3-yl)methylsulfanyl]pyrimidine Traditional Name: 2-[[5-(isopropylthio)-4-phenyl-1,2,4-triazol-3-yl]methylthio]pyrimidine Formula: C16H17N5S2 MolecularWeight: 343.46968

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SC1=NN=C(N1C2=CC=CC=C2)CSC3=NC=CC=N3

Isomeric SMILES

CC(C)SC1=NN=C(N1C2=CC=CC=C2)CSC3=NC=CC=N3

InChI

InChI=1S/C16H17N5S2/c1-12(2)23-16-20-19-14(11-22-15-17-9-6-10-18-15)21(16)13-7-4-3-5-8-13/h3-10,12H,11H2,1-2H3