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

Systemtic Name: 4-[[4-azanyl-5-(3,4-dimethoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-6-chloranyl-7-methyl-chromen-2-one Openeye Name: 4-[[4-amino-5-(3,4-dimethoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-6-chloro-7-methyl-chromen-2-one CAS Name: 4-[[[4-amino-5-(3,4-dimethoxyphenyl)-1,2,4-triazol-3-yl]thio]methyl]-6-chloro-7-methyl-1-benzopyran-2-one IUPAC Name: 4-[[4-amino-5-(3,4-dimethoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-6-chloro-7-methylchromen-2-one Traditional Name: 4-[[[4-amino-5-(3,4-dimethoxyphenyl)-1,2,4-triazol-3-yl]thio]methyl]-6-chloro-7-methyl-coumarin Formula: C21H19ClN4O4S MolecularWeight: 458.91796

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)CSC3=NN=C(N3N)C4=CC(=C(C=C4)OC)OC)Cl

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)CSC3=NN=C(N3N)C4=CC(=C(C=C4)OC)OC)Cl

InChI

InChI=1S/C21H19ClN4O4S/c1-11-6-17-14(9-15(11)22)13(8-19(27)30-17)10-31-21-25-24-20(26(21)23)12-4-5-16(28-2)18(7-12)29-3/h4-9H,10,23H2,1-3H3