4-[[4-butan-2-yl-5-(3-morpholin-4-ylsulfonylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-7-methyl-chromen-2-one

Systemtic Name: 4-[[4-butan-2-yl-5-(3-morpholin-4-ylsulfonylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-7-methyl-chromen-2-one Openeye Name: 7-methyl-4-[[5-(3-morpholinosulfonylphenyl)-4-sec-butyl-1,2,4-triazol-3-yl]sulfanylmethyl]chromen-2-one CAS Name: 4-[[[4-butan-2-yl-5-[3-(4-morpholinylsulfonyl)phenyl]-1,2,4-triazol-3-yl]thio]methyl]-7-methyl-1-benzopyran-2-one IUPAC Name: 4-[[4-butan-2-yl-5-(3-morpholin-4-ylsulfonylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-7-methylchromen-2-one Traditional Name: 7-methyl-4-[[[5-(3-morpholinosulfonylphenyl)-4-sec-butyl-1,2,4-triazol-3-yl]thio]methyl]coumarin Formula: C27H30N4O5S2 MolecularWeight: 554.6809

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1C(=NN=C1SCC2=CC(=O)OC3=C2C=CC(=C3)C)C4=CC(=CC=C4)S(=O)(=O)N5CCOCC5

Isomeric SMILES

CCC(C)N1C(=NN=C1SCC2=CC(=O)OC3=C2C=CC(=C3)C)C4=CC(=CC=C4)S(=O)(=O)N5CCOCC5

InChI

InChI=1S/C27H30N4O5S2/c1-4-19(3)31-26(20-6-5-7-22(15-20)38(33,34)30-10-12-35-13-11-30)28-29-27(31)37-17-21-16-25(32)36-24-14-18(2)8-9-23(21)24/h5-9,14-16,19H,4,10-13,17H2,1-3H3