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

Systemtic Name: 4-[(4-azanyl-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanylmethyl]-7-ethyl-chromen-2-one Openeye Name: 4-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanylmethyl]-7-ethyl-chromen-2-one CAS Name: 4-[[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)thio]methyl]-7-ethyl-1-benzopyran-2-one IUPAC Name: 4-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanylmethyl]-7-ethylchromen-2-one Traditional Name: 4-[[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)thio]methyl]-7-ethyl-coumarin Formula: C20H24N4O2S MolecularWeight: 384.49516

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NN=C(N3N)C4CCCCC4

Isomeric SMILES

CCC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NN=C(N3N)C4CCCCC4

InChI

InChI=1S/C20H24N4O2S/c1-2-13-8-9-16-15(11-18(25)26-17(16)10-13)12-27-20-23-22-19(24(20)21)14-6-4-3-5-7-14/h8-11,14H,2-7,12,21H2,1H3