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

Systemtic Name: 4-[(4-azanyl-5-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-7-methyl-chromen-2-one Openeye Name: 4-[(4-amino-5-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-7-methyl-chromen-2-one CAS Name: 4-[[(4-amino-5-methyl-1,2,4-triazol-3-yl)thio]methyl]-7-methyl-1-benzopyran-2-one IUPAC Name: 4-[(4-amino-5-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-7-methylchromen-2-one Traditional Name: 4-[[(4-amino-5-methyl-1,2,4-triazol-3-yl)thio]methyl]-7-methyl-coumarin Formula: C14H14N4O2S MolecularWeight: 302.35156

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NN=C(N3N)C

Isomeric SMILES

CC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NN=C(N3N)C

InChI

InChI=1S/C14H14N4O2S/c1-8-3-4-11-10(6-13(19)20-12(11)5-8)7-21-14-17-16-9(2)18(14)15/h3-6H,7,15H2,1-2H3