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

Systemtic Name: 4-[[4-azanyl-5-(2-cyclohexylethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-7-methoxy-chromen-2-one Openeye Name: 4-[[4-amino-5-(2-cyclohexylethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-7-methoxy-chromen-2-one CAS Name: 4-[[[4-amino-5-(2-cyclohexylethyl)-1,2,4-triazol-3-yl]thio]methyl]-7-methoxy-1-benzopyran-2-one IUPAC Name: 4-[[4-amino-5-(2-cyclohexylethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-7-methoxychromen-2-one Traditional Name: 4-[[[4-amino-5-(2-cyclohexylethyl)-1,2,4-triazol-3-yl]thio]methyl]-7-methoxy-coumarin Formula: C21H26N4O3S MolecularWeight: 414.52114

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NN=C(N3N)CCC4CCCCC4

Isomeric SMILES

COC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NN=C(N3N)CCC4CCCCC4

InChI

InChI=1S/C21H26N4O3S/c1-27-16-8-9-17-15(11-20(26)28-18(17)12-16)13-29-21-24-23-19(25(21)22)10-7-14-5-3-2-4-6-14/h8-9,11-12,14H,2-7,10,13,22H2,1H3