N-[4-[(4-azanyl-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanylmethyl]-2-oxidanylidene-chromen-7-yl]ethanamide

Systemtic Name: N-[4-[(4-azanyl-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanylmethyl]-2-oxidanylidene-chromen-7-yl]ethanamide Openeye Name: N-[4-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanylmethyl]-2-oxo-chromen-7-yl]acetamide CAS Name: N-[4-[[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)thio]methyl]-2-oxo-1-benzopyran-7-yl]acetamide IUPAC Name: N-[4-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanylmethyl]-2-oxochromen-7-yl]acetamide Traditional Name: N-[4-[[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)thio]methyl]-2-keto-chromen-7-yl]acetamide Formula: C20H23N5O3S MolecularWeight: 413.49332

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NN=C(N3N)C4CCCCC4

Isomeric SMILES

CC(=O)NC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NN=C(N3N)C4CCCCC4

InChI

InChI=1S/C20H23N5O3S/c1-12(26)22-15-7-8-16-14(9-18(27)28-17(16)10-15)11-29-20-24-23-19(25(20)21)13-5-3-2-4-6-13/h7-10,13H,2-6,11,21H2,1H3,(H,22,26)