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

Systemtic Name: ethyl N-[4-[(4-azanyl-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanylmethyl]-2-oxidanylidene-chromen-7-yl]carbamate Openeye Name: ethyl N-[4-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanylmethyl]-2-oxo-chromen-7-yl]carbamate CAS Name: N-[4-[[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)thio]methyl]-2-oxo-1-benzopyran-7-yl]carbamic acid ethyl ester IUPAC Name: ethyl N-[4-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanylmethyl]-2-oxochromen-7-yl]carbamate Traditional Name: N-[4-[[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)thio]methyl]-2-keto-chromen-7-yl]carbamic acid ethyl ester Formula: C21H25N5O4S MolecularWeight: 443.5193

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N5O4S/c1-2-29-21(28)23-15-8-9-16-14(10-18(27)30-17(16)11-15)12-31-20-25-24-19(26(20)22)13-6-4-3-5-7-13/h8-11,13H,2-7,12,22H2,1H3,(H,23,28)