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

Systemtic Name: 4-[(4-azanyl-5-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-6,7-dimethyl-chromen-2-one Openeye Name: 4-[(4-amino-5-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-6,7-dimethyl-chromen-2-one CAS Name: 4-[[(4-amino-5-methyl-1,2,4-triazol-3-yl)thio]methyl]-6,7-dimethyl-1-benzopyran-2-one IUPAC Name: 4-[(4-amino-5-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-6,7-dimethylchromen-2-one Traditional Name: 4-[[(4-amino-5-methyl-1,2,4-triazol-3-yl)thio]methyl]-6,7-dimethyl-coumarin Formula: C15H16N4O2S MolecularWeight: 316.37814

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=CC(=O)O2)CSC3=NN=C(N3N)C)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=CC(=O)O2)CSC3=NN=C(N3N)C)C

InChI

InChI=1S/C15H16N4O2S/c1-8-4-12-11(6-14(20)21-13(12)5-9(8)2)7-22-15-18-17-10(3)19(15)16/h4-6H,7,16H2,1-3H3