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

Systemtic Name: N-(4-bromophenyl)-2-[[5-(cyclohexylmethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: 2-[[4-allyl-5-(cyclohexylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-bromophenyl)acetamide CAS Name: N-(4-bromophenyl)-2-[[5-(cyclohexylmethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(4-bromophenyl)-2-[[5-(cyclohexylmethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: 2-[[4-allyl-5-(cyclohexylmethyl)-1,2,4-triazol-3-yl]thio]-N-(4-bromophenyl)acetamide Formula: C20H25BrN4OS MolecularWeight: 449.4077

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)Br)CC3CCCCC3

Isomeric SMILES

C=CCN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)Br)CC3CCCCC3

InChI

InChI=1S/C20H25BrN4OS/c1-2-12-25-18(13-15-6-4-3-5-7-15)23-24-20(25)27-14-19(26)22-17-10-8-16(21)9-11-17/h2,8-11,15H,1,3-7,12-14H2,(H,22,26)