6-[2-[(5-cyclohexyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]-3H-1,3-benzoxazol-2-one

Systemtic Name: 6-[2-[(5-cyclohexyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]-3H-1,3-benzoxazol-2-one Openeye Name: 6-[2-[(4-allyl-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-3H-1,3-benzoxazol-2-one CAS Name: 6-[2-[(5-cyclohexyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]-3H-1,3-benzoxazol-2-one IUPAC Name: 6-[2-[(5-cyclohexyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-3H-1,3-benzoxazol-2-one Traditional Name: 6-[2-[(4-allyl-5-cyclohexyl-1,2,4-triazol-3-yl)thio]acetyl]-3H-1,3-benzoxazol-2-one Formula: C20H22N4O3S MolecularWeight: 398.47868

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC(=O)C2=CC3=C(C=C2)NC(=O)O3)C4CCCCC4

Isomeric SMILES

C=CCN1C(=NN=C1SCC(=O)C2=CC3=C(C=C2)NC(=O)O3)C4CCCCC4

InChI

InChI=1S/C20H22N4O3S/c1-2-10-24-18(13-6-4-3-5-7-13)22-23-19(24)28-12-16(25)14-8-9-15-17(11-14)27-20(26)21-15/h2,8-9,11,13H,1,3-7,10,12H2,(H,21,26)