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

Systemtic Name: 4-[[4-azanyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-7-ethyl-chromen-2-one Openeye Name: 4-[[4-amino-5-(o-tolyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-7-ethyl-chromen-2-one CAS Name: 4-[[[4-amino-5-(2-methylphenyl)-1,2,4-triazol-3-yl]thio]methyl]-7-ethyl-1-benzopyran-2-one IUPAC Name: 4-[[4-amino-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-7-ethylchromen-2-one Traditional Name: 4-[[[4-amino-5-(o-tolyl)-1,2,4-triazol-3-yl]thio]methyl]-7-ethyl-coumarin Formula: C21H20N4O2S MolecularWeight: 392.4741

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NN=C(N3N)C4=CC=CC=C4C

Isomeric SMILES

CCC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NN=C(N3N)C4=CC=CC=C4C

InChI

InChI=1S/C21H20N4O2S/c1-3-14-8-9-17-15(11-19(26)27-18(17)10-14)12-28-21-24-23-20(25(21)22)16-7-5-4-6-13(16)2/h4-11H,3,12,22H2,1-2H3