4-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-6-chloranyl-7-methyl-chromen-2-one

Systemtic Name: 4-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-6-chloranyl-7-methyl-chromen-2-one Openeye Name: 4-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-6-chloro-7-methyl-chromen-2-one CAS Name: 4-[[(5-amino-1H-1,2,4-triazol-3-yl)thio]methyl]-6-chloro-7-methyl-1-benzopyran-2-one IUPAC Name: 4-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-6-chloro-7-methylchromen-2-one Traditional Name: 4-[[(5-amino-1H-1,2,4-triazol-3-yl)thio]methyl]-6-chloro-7-methyl-coumarin Formula: C13H11ClN4O2S MolecularWeight: 322.77004

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)CSC3=NNC(=N3)N)Cl

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)CSC3=NNC(=N3)N)Cl

InChI

InChI=1S/C13H11ClN4O2S/c1-6-2-10-8(4-9(6)14)7(3-11(19)20-10)5-21-13-16-12(15)17-18-13/h2-4H,5H2,1H3,(H3,15,16,17,18)