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

Systemtic Name: 4-[(4-azanyl-5-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-7-methoxy-chromen-2-one Openeye Name: 4-[(4-amino-5-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-7-methoxy-chromen-2-one CAS Name: 4-[[(4-amino-5-methyl-1,2,4-triazol-3-yl)thio]methyl]-7-methoxy-1-benzopyran-2-one IUPAC Name: 4-[(4-amino-5-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-7-methoxychromen-2-one Traditional Name: 4-[[(4-amino-5-methyl-1,2,4-triazol-3-yl)thio]methyl]-7-methoxy-coumarin Formula: C14H14N4O3S MolecularWeight: 318.35096

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1N)SCC2=CC(=O)OC3=C2C=CC(=C3)OC

Isomeric SMILES

CC1=NN=C(N1N)SCC2=CC(=O)OC3=C2C=CC(=C3)OC

InChI

InChI=1S/C14H14N4O3S/c1-8-16-17-14(18(8)15)22-7-9-5-13(19)21-12-6-10(20-2)3-4-11(9)12/h3-6H,7,15H2,1-2H3