4-[[4-azanyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-6,7-dimethyl-chromen-2-one

Systemtic Name: 4-[[4-azanyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-6,7-dimethyl-chromen-2-one Openeye Name: 4-[[4-amino-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-6,7-dimethyl-chromen-2-one CAS Name: 4-[[[4-amino-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]methyl]-6,7-dimethyl-1-benzopyran-2-one IUPAC Name: 4-[[4-amino-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-6,7-dimethylchromen-2-one Traditional Name: 4-[[[4-amino-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]methyl]-6,7-dimethyl-coumarin Formula: C21H20N4O3S MolecularWeight: 408.4735

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=CC(=O)O2)CSC3=NN=C(N3N)C4=CC=C(C=C4)OC)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=CC(=O)O2)CSC3=NN=C(N3N)C4=CC=C(C=C4)OC)C

InChI

InChI=1S/C21H20N4O3S/c1-12-8-17-15(10-19(26)28-18(17)9-13(12)2)11-29-21-24-23-20(25(21)22)14-4-6-16(27-3)7-5-14/h4-10H,11,22H2,1-3H3