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

Systemtic Name: 2-[[5-(cyclohexylmethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-methoxyphenyl)ethanamide Openeye Name: 2-[[4-allyl-5-(cyclohexylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-methoxyphenyl)acetamide CAS Name: 2-[[5-(cyclohexylmethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]-N-(3-methoxyphenyl)acetamide IUPAC Name: 2-[[5-(cyclohexylmethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-methoxyphenyl)acetamide Traditional Name: 2-[[4-allyl-5-(cyclohexylmethyl)-1,2,4-triazol-3-yl]thio]-N-(3-methoxyphenyl)acetamide Formula: C21H28N4O2S MolecularWeight: 400.53762

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N4O2S/c1-3-12-25-19(13-16-8-5-4-6-9-16)23-24-21(25)28-15-20(26)22-17-10-7-11-18(14-17)27-2/h3,7,10-11,14,16H,1,4-6,8-9,12-13,15H2,2H3,(H,22,26)