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

Systemtic Name: 4-[[4-azanyl-5-(3,5-dimethylpyrazol-1-yl)-1,2,4-triazol-3-yl]sulfanylmethyl]-6-chloranyl-7-methyl-chromen-2-one Openeye Name: 4-[[4-amino-5-(3,5-dimethylpyrazol-1-yl)-1,2,4-triazol-3-yl]sulfanylmethyl]-6-chloro-7-methyl-chromen-2-one CAS Name: 4-[[[4-amino-5-(3,5-dimethyl-1-pyrazolyl)-1,2,4-triazol-3-yl]thio]methyl]-6-chloro-7-methyl-1-benzopyran-2-one IUPAC Name: 4-[[4-amino-5-(3,5-dimethylpyrazol-1-yl)-1,2,4-triazol-3-yl]sulfanylmethyl]-6-chloro-7-methylchromen-2-one Traditional Name: 4-[[[4-amino-5-(3,5-dimethylpyrazol-1-yl)-1,2,4-triazol-3-yl]thio]methyl]-6-chloro-7-methyl-coumarin Formula: C18H17ClN6O2S MolecularWeight: 416.88458

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=NN=C(N2N)SCC3=CC(=O)OC4=CC(=C(C=C34)Cl)C)C

Isomeric SMILES

CC1=CC(=NN1C2=NN=C(N2N)SCC3=CC(=O)OC4=CC(=C(C=C34)Cl)C)C

InChI

InChI=1S/C18H17ClN6O2S/c1-9-4-15-13(7-14(9)19)12(6-16(26)27-15)8-28-18-22-21-17(24(18)20)25-11(3)5-10(2)23-25/h4-7H,8,20H2,1-3H3