3-(cyclohexylmethyl)-5-[(3-methoxyphenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazole

Systemtic Name: 3-(cyclohexylmethyl)-5-[(3-methoxyphenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazole Openeye Name: 4-allyl-3-(cyclohexylmethyl)-5-[(3-methoxyphenyl)methylsulfanyl]-1,2,4-triazole CAS Name: 3-(cyclohexylmethyl)-5-[(3-methoxyphenyl)methylthio]-4-prop-2-enyl-1,2,4-triazole IUPAC Name: 3-(cyclohexylmethyl)-5-[(3-methoxyphenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazole Traditional Name: 4-allyl-3-(cyclohexylmethyl)-5-(m-anisylthio)-1,2,4-triazole Formula: C20H27N3OS MolecularWeight: 357.51288

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CSC2=NN=C(N2CC=C)CC3CCCCC3

Isomeric SMILES

COC1=CC=CC(=C1)CSC2=NN=C(N2CC=C)CC3CCCCC3

InChI

InChI=1S/C20H27N3OS/c1-3-12-23-19(14-16-8-5-4-6-9-16)21-22-20(23)25-15-17-10-7-11-18(13-17)24-2/h3,7,10-11,13,16H,1,4-6,8-9,12,14-15H2,2H3