3-[(6-chloranyl-7-methyl-2-oxidanylidene-chromen-4-yl)methylsulfanyl]-4-phenethyl-1H-1,2,4-triazol-5-one

Systemtic Name: 3-[(6-chloranyl-7-methyl-2-oxidanylidene-chromen-4-yl)methylsulfanyl]-4-phenethyl-1H-1,2,4-triazol-5-one Openeye Name: 3-[(6-chloro-7-methyl-2-oxo-chromen-4-yl)methylsulfanyl]-4-phenethyl-1H-1,2,4-triazol-5-one CAS Name: 3-[(6-chloro-7-methyl-2-oxo-1-benzopyran-4-yl)methylthio]-4-phenethyl-1H-1,2,4-triazol-5-one IUPAC Name: 3-[(6-chloro-7-methyl-2-oxochromen-4-yl)methylsulfanyl]-4-phenethyl-1H-1,2,4-triazol-5-one Traditional Name: 3-[(6-chloro-2-keto-7-methyl-chromen-4-yl)methylthio]-4-phenethyl-1H-1,2,4-triazol-5-one Formula: C21H18ClN3O3S MolecularWeight: 427.90392

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)CSC3=NNC(=O)N3CCC4=CC=CC=C4)Cl

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)CSC3=NNC(=O)N3CCC4=CC=CC=C4)Cl

InChI

InChI=1S/C21H18ClN3O3S/c1-13-9-18-16(11-17(13)22)15(10-19(26)28-18)12-29-21-24-23-20(27)25(21)8-7-14-5-3-2-4-6-14/h2-6,9-11H,7-8,12H2,1H3,(H,23,27)