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

Systemtic Name: 4-[(4-azanyl-5-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-6-chloranyl-7-methyl-chromen-2-one Openeye Name: 4-[(4-amino-5-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-6-chloro-7-methyl-chromen-2-one CAS Name: 4-[[(4-amino-5-methyl-1,2,4-triazol-3-yl)thio]methyl]-6-chloro-7-methyl-1-benzopyran-2-one IUPAC Name: 4-[(4-amino-5-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-6-chloro-7-methylchromen-2-one Traditional Name: 4-[[(4-amino-5-methyl-1,2,4-triazol-3-yl)thio]methyl]-6-chloro-7-methyl-coumarin Formula: C14H13ClN4O2S MolecularWeight: 336.79662

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)CSC3=NN=C(N3N)C)Cl

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)CSC3=NN=C(N3N)C)Cl

InChI

InChI=1S/C14H13ClN4O2S/c1-7-3-12-10(5-11(7)15)9(4-13(20)21-12)6-22-14-18-17-8(2)19(14)16/h3-5H,6,16H2,1-2H3