4-[(4-azanyl-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanylmethyl]-6-chloranyl-7-ethyl-chromen-2-one

Systemtic Name: 4-[(4-azanyl-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanylmethyl]-6-chloranyl-7-ethyl-chromen-2-one Openeye Name: 4-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanylmethyl]-6-chloro-7-ethyl-chromen-2-one CAS Name: 4-[[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)thio]methyl]-6-chloro-7-ethyl-1-benzopyran-2-one IUPAC Name: 4-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanylmethyl]-6-chloro-7-ethylchromen-2-one Traditional Name: 4-[[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)thio]methyl]-6-chloro-7-ethyl-coumarin Formula: C20H23ClN4O2S MolecularWeight: 418.94022

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=CC(=O)OC2=C1)CSC3=NN=C(N3N)C4CCCCC4)Cl

Isomeric SMILES

CCC1=C(C=C2C(=CC(=O)OC2=C1)CSC3=NN=C(N3N)C4CCCCC4)Cl

InChI

InChI=1S/C20H23ClN4O2S/c1-2-12-8-17-15(10-16(12)21)14(9-18(26)27-17)11-28-20-24-23-19(25(20)22)13-6-4-3-5-7-13/h8-10,13H,2-7,11,22H2,1H3