N,N-dicyclohexyl-2-[[5-(2-methylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: N,N-dicyclohexyl-2-[[5-(2-methylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: 2-[[4-allyl-5-(o-tolyl)-1,2,4-triazol-3-yl]sulfanyl]-N,N-dicyclohexyl-acetamide CAS Name: N,N-dicyclohexyl-2-[[5-(2-methylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N,N-dicyclohexyl-2-[[5-(2-methylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: 2-[[4-allyl-5-(o-tolyl)-1,2,4-triazol-3-yl]thio]-N,N-dicyclohexyl-acetamide Formula: C26H36N4OS MolecularWeight: 452.65524

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=NN=C(N2CC=C)SCC(=O)N(C3CCCCC3)C4CCCCC4

Isomeric SMILES

CC1=CC=CC=C1C2=NN=C(N2CC=C)SCC(=O)N(C3CCCCC3)C4CCCCC4

InChI

InChI=1S/C26H36N4OS/c1-3-18-29-25(23-17-11-10-12-20(23)2)27-28-26(29)32-19-24(31)30(21-13-6-4-7-14-21)22-15-8-5-9-16-22/h3,10-12,17,21-22H,1,4-9,13-16,18-19H2,2H3