3-[2-[(4-azanyl-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]chromen-2-one

Systemtic Name: 3-[2-[(4-azanyl-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]chromen-2-one Openeye Name: 3-[2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]acetyl]chromen-2-one CAS Name: 3-[2-[(4-amino-1,2,4-triazol-3-yl)thio]-1-oxoethyl]-1-benzopyran-2-one IUPAC Name: 3-[2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]acetyl]chromen-2-one Traditional Name: 3-[2-[(4-amino-1,2,4-triazol-3-yl)thio]acetyl]coumarin Formula: C13H10N4O3S MolecularWeight: 302.3085

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(C(=O)O2)C(=O)CSC3=NN=CN3N

Isomeric SMILES

C1=CC=C2C(=C1)C=C(C(=O)O2)C(=O)CSC3=NN=CN3N

InChI

InChI=1S/C13H10N4O3S/c14-17-7-15-16-13(17)21-6-10(18)9-5-8-3-1-2-4-11(8)20-12(9)19/h1-5,7H,6,14H2