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

Systemtic Name: 4-[[4-azanyl-5-[(3-methoxyphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanylmethyl]-6-chloranyl-7-ethyl-chromen-2-one Openeye Name: 4-[[4-amino-5-[(3-methoxyphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanylmethyl]-6-chloro-7-ethyl-chromen-2-one CAS Name: 4-[[[4-amino-5-[(3-methoxyphenoxy)methyl]-1,2,4-triazol-3-yl]thio]methyl]-6-chloro-7-ethyl-1-benzopyran-2-one IUPAC Name: 4-[[4-amino-5-[(3-methoxyphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanylmethyl]-6-chloro-7-ethylchromen-2-one Traditional Name: 4-[[[4-amino-5-[(3-methoxyphenoxy)methyl]-1,2,4-triazol-3-yl]thio]methyl]-6-chloro-7-ethyl-coumarin Formula: C22H21ClN4O4S MolecularWeight: 472.94454

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=CC(=O)OC2=C1)CSC3=NN=C(N3N)COC4=CC=CC(=C4)OC)Cl

Isomeric SMILES

CCC1=C(C=C2C(=CC(=O)OC2=C1)CSC3=NN=C(N3N)COC4=CC=CC(=C4)OC)Cl

InChI

InChI=1S/C22H21ClN4O4S/c1-3-13-7-19-17(10-18(13)23)14(8-21(28)31-19)12-32-22-26-25-20(27(22)24)11-30-16-6-4-5-15(9-16)29-2/h4-10H,3,11-12,24H2,1-2H3