3-(cycloheptylmethylsulfanyl)-6-(4-propan-2-yloxyphenyl)-5-(4-propoxyphenyl)-1,2,4-triazine

Systemtic Name: 3-(cycloheptylmethylsulfanyl)-6-(4-propan-2-yloxyphenyl)-5-(4-propoxyphenyl)-1,2,4-triazine Openeye Name: 3-(cycloheptylmethylsulfanyl)-6-(4-isopropoxyphenyl)-5-(4-propoxyphenyl)-1,2,4-triazine CAS Name: 3-(cycloheptylmethylthio)-6-(4-propan-2-yloxyphenyl)-5-(4-propoxyphenyl)-1,2,4-triazine IUPAC Name: 3-(cycloheptylmethylsulfanyl)-6-(4-propan-2-yloxyphenyl)-5-(4-propoxyphenyl)-1,2,4-triazine Traditional Name: 3-(cycloheptylmethylthio)-6-(4-isopropoxyphenyl)-5-(4-propoxyphenyl)-1,2,4-triazine Formula: C29H37N3O2S MolecularWeight: 491.68798

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C2=C(N=NC(=N2)SCC3CCCCCC3)C4=CC=C(C=C4)OC(C)C

Isomeric SMILES

CCCOC1=CC=C(C=C1)C2=C(N=NC(=N2)SCC3CCCCCC3)C4=CC=C(C=C4)OC(C)C

InChI

InChI=1S/C29H37N3O2S/c1-4-19-33-25-15-11-23(12-16-25)27-28(24-13-17-26(18-14-24)34-21(2)3)31-32-29(30-27)35-20-22-9-7-5-6-8-10-22/h11-18,21-22H,4-10,19-20H2,1-3H3