4-cyclohexyl-3-(3-propan-2-yloxyphenyl)-5-prop-2-ynylsulfanyl-1,2,4-triazole

Systemtic Name: 4-cyclohexyl-3-(3-propan-2-yloxyphenyl)-5-prop-2-ynylsulfanyl-1,2,4-triazole Openeye Name: 4-cyclohexyl-3-(3-isopropoxyphenyl)-5-prop-2-ynylsulfanyl-1,2,4-triazole CAS Name: 4-cyclohexyl-3-(3-propan-2-yloxyphenyl)-5-(prop-2-ynylthio)-1,2,4-triazole IUPAC Name: 4-cyclohexyl-3-(3-propan-2-yloxyphenyl)-5-prop-2-ynylsulfanyl-1,2,4-triazole Traditional Name: 4-cyclohexyl-3-(3-isopropoxyphenyl)-5-(propargylthio)-1,2,4-triazole Formula: C20H25N3OS MolecularWeight: 355.497

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=CC(=C1)C2=NN=C(N2C3CCCCC3)SCC#C

Isomeric SMILES

CC(C)OC1=CC=CC(=C1)C2=NN=C(N2C3CCCCC3)SCC#C

InChI

InChI=1S/C20H25N3OS/c1-4-13-25-20-22-21-19(23(20)17-10-6-5-7-11-17)16-9-8-12-18(14-16)24-15(2)3/h1,8-9,12,14-15,17H,5-7,10-11,13H2,2-3H3