3-(2,3-dimethylpentylsulfanyl)-5-(4-ethylphenyl)-6-(4-propan-2-yloxyphenyl)-1,2,4-triazine

Systemtic Name: 3-(2,3-dimethylpentylsulfanyl)-5-(4-ethylphenyl)-6-(4-propan-2-yloxyphenyl)-1,2,4-triazine Openeye Name: 3-(2,3-dimethylpentylsulfanyl)-5-(4-ethylphenyl)-6-(4-isopropoxyphenyl)-1,2,4-triazine CAS Name: 3-(2,3-dimethylpentylthio)-5-(4-ethylphenyl)-6-(4-propan-2-yloxyphenyl)-1,2,4-triazine IUPAC Name: 3-(2,3-dimethylpentylsulfanyl)-5-(4-ethylphenyl)-6-(4-propan-2-yloxyphenyl)-1,2,4-triazine Traditional Name: 3-(2,3-dimethylpentylthio)-5-(4-ethylphenyl)-6-(4-isopropoxyphenyl)-1,2,4-triazine Formula: C27H35N3OS MolecularWeight: 449.6513

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=C(N=NC(=N2)SCC(C)C(C)CC)C3=CC=C(C=C3)OC(C)C

Isomeric SMILES

CCC1=CC=C(C=C1)C2=C(N=NC(=N2)SCC(C)C(C)CC)C3=CC=C(C=C3)OC(C)C

InChI

InChI=1S/C27H35N3OS/c1-7-19(5)20(6)17-32-27-28-25(22-11-9-21(8-2)10-12-22)26(29-30-27)23-13-15-24(16-14-23)31-18(3)4/h9-16,18-20H,7-8,17H2,1-6H3