4-[[4-azanyl-5-(4-chlorophenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-7,8-dimethyl-chromen-2-one

Systemtic Name: 4-[[4-azanyl-5-(4-chlorophenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-7,8-dimethyl-chromen-2-one Openeye Name: 4-[[4-amino-5-(4-chlorophenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-7,8-dimethyl-chromen-2-one CAS Name: 4-[[[4-amino-5-(4-chlorophenyl)-1,2,4-triazol-3-yl]thio]methyl]-7,8-dimethyl-1-benzopyran-2-one IUPAC Name: 4-[[4-amino-5-(4-chlorophenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-7,8-dimethylchromen-2-one Traditional Name: 4-[[[4-amino-5-(4-chlorophenyl)-1,2,4-triazol-3-yl]thio]methyl]-7,8-dimethyl-coumarin Formula: C20H17ClN4O2S MolecularWeight: 412.89258

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=CC(=O)O2)CSC3=NN=C(N3N)C4=CC=C(C=C4)Cl)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=CC(=O)O2)CSC3=NN=C(N3N)C4=CC=C(C=C4)Cl)C

InChI

InChI=1S/C20H17ClN4O2S/c1-11-3-8-16-14(9-17(26)27-18(16)12(11)2)10-28-20-24-23-19(25(20)22)13-4-6-15(21)7-5-13/h3-9H,10,22H2,1-2H3