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

Systemtic Name: N,N-dicyclohexyl-2-[[5-(phenylmethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: 2-[(4-allyl-5-benzyl-1,2,4-triazol-3-yl)sulfanyl]-N,N-dicyclohexyl-acetamide CAS Name: N,N-dicyclohexyl-2-[[5-(phenylmethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: 2-[(5-benzyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]-N,N-dicyclohexylacetamide Traditional Name: 2-[(4-allyl-5-benzyl-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:

C=CCN1C(=NN=C1SCC(=O)N(C2CCCCC2)C3CCCCC3)CC4=CC=CC=C4

Isomeric SMILES

C=CCN1C(=NN=C1SCC(=O)N(C2CCCCC2)C3CCCCC3)CC4=CC=CC=C4

InChI

InChI=1S/C26H36N4OS/c1-2-18-29-24(19-21-12-6-3-7-13-21)27-28-26(29)32-20-25(31)30(22-14-8-4-9-15-22)23-16-10-5-11-17-23/h2-3,6-7,12-13,22-23H,1,4-5,8-11,14-20H2