4-[(4-azanyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]-8-methyl-7-oxidanyl-chromen-2-one

Systemtic Name: 4-[(4-azanyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]-8-methyl-7-oxidanyl-chromen-2-one Openeye Name: 4-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]-7-hydroxy-8-methyl-chromen-2-one CAS Name: 4-[[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)thio]methyl]-7-hydroxy-8-methyl-1-benzopyran-2-one IUPAC Name: 4-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]-7-hydroxy-8-methylchromen-2-one Traditional Name: 4-[[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)thio]methyl]-7-hydroxy-8-methyl-coumarin Formula: C16H16N4O3S MolecularWeight: 344.38824

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1OC(=O)C=C2CSC3=NN=C(N3N)C4CC4)O

Isomeric SMILES

CC1=C(C=CC2=C1OC(=O)C=C2CSC3=NN=C(N3N)C4CC4)O

InChI

InChI=1S/C16H16N4O3S/c1-8-12(21)5-4-11-10(6-13(22)23-14(8)11)7-24-16-19-18-15(20(16)17)9-2-3-9/h4-6,9,21H,2-3,7,17H2,1H3