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

Systemtic Name: 2-[[4-(4-ethoxyphenyl)-5-propan-2-ylsulfanyl-1,2,4-triazol-3-yl]methylsulfanyl]pyrimidine Openeye Name: 2-[[4-(4-ethoxyphenyl)-5-isopropylsulfanyl-1,2,4-triazol-3-yl]methylsulfanyl]pyrimidine CAS Name: 2-[[4-(4-ethoxyphenyl)-5-(propan-2-ylthio)-1,2,4-triazol-3-yl]methylthio]pyrimidine IUPAC Name: 2-[[4-(4-ethoxyphenyl)-5-propan-2-ylsulfanyl-1,2,4-triazol-3-yl]methylsulfanyl]pyrimidine Traditional Name: 2-[[5-(isopropylthio)-4-p-phenetyl-1,2,4-triazol-3-yl]methylthio]pyrimidine Formula: C18H21N5OS2 MolecularWeight: 387.52224

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=NN=C2SC(C)C)CSC3=NC=CC=N3

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=NN=C2SC(C)C)CSC3=NC=CC=N3

InChI

InChI=1S/C18H21N5OS2/c1-4-24-15-8-6-14(7-9-15)23-16(21-22-18(23)26-13(2)3)12-25-17-19-10-5-11-20-17/h5-11,13H,4,12H2,1-3H3