4-[[5-(3-methylphenyl)-4-propyl-1,2,4-triazol-3-yl]sulfanylmethyl]-7-oxidanyl-chromen-2-one

Systemtic Name: 4-[[5-(3-methylphenyl)-4-propyl-1,2,4-triazol-3-yl]sulfanylmethyl]-7-oxidanyl-chromen-2-one Openeye Name: 7-hydroxy-4-[[5-(m-tolyl)-4-propyl-1,2,4-triazol-3-yl]sulfanylmethyl]chromen-2-one CAS Name: 7-hydroxy-4-[[[5-(3-methylphenyl)-4-propyl-1,2,4-triazol-3-yl]thio]methyl]-1-benzopyran-2-one IUPAC Name: 7-hydroxy-4-[[5-(3-methylphenyl)-4-propyl-1,2,4-triazol-3-yl]sulfanylmethyl]chromen-2-one Traditional Name: 7-hydroxy-4-[[[5-(m-tolyl)-4-propyl-1,2,4-triazol-3-yl]thio]methyl]coumarin Formula: C22H21N3O3S MolecularWeight: 407.48544

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=NN=C1SCC2=CC(=O)OC3=C2C=CC(=C3)O)C4=CC(=CC=C4)C

Isomeric SMILES

CCCN1C(=NN=C1SCC2=CC(=O)OC3=C2C=CC(=C3)O)C4=CC(=CC=C4)C

InChI

InChI=1S/C22H21N3O3S/c1-3-9-25-21(15-6-4-5-14(2)10-15)23-24-22(25)29-13-16-11-20(27)28-19-12-17(26)7-8-18(16)19/h4-8,10-12,26H,3,9,13H2,1-2H3