(5S,7R)-7-(2,4-dichlorophenyl)-5-(4-methoxyphenyl)-1,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine

Systemtic Name: (5S,7R)-7-(2,4-dichlorophenyl)-5-(4-methoxyphenyl)-1,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine Openeye Name: (5S,7R)-7-(2,4-dichlorophenyl)-5-(4-methoxyphenyl)-1,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine CAS Name: (5S,7R)-7-(2,4-dichlorophenyl)-5-(4-methoxyphenyl)-1,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine IUPAC Name: (5S,7R)-7-(2,4-dichlorophenyl)-5-(4-methoxyphenyl)-1,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine Traditional Name: (5S,7R)-7-(2,4-dichlorophenyl)-5-(4-methoxyphenyl)-1,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine Formula: C18H16Cl2N4O MolecularWeight: 375.25184

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2CC(N3C(=N2)N=CN3)C4=C(C=C(C=C4)Cl)Cl

Isomeric SMILES

COC1=CC=C(C=C1)[C@@H]2C[C@@H](N3C(=N2)N=CN3)C4=C(C=C(C=C4)Cl)Cl

InChI

InChI=1S/C18H16Cl2N4O/c1-25-13-5-2-11(3-6-13)16-9-17(24-18(23-16)21-10-22-24)14-7-4-12(19)8-15(14)20/h2-8,10,16-17H,9H2,1H3,(H,21,22,23)/t16-,17+/m0/s1