3-[3-[(7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methylsulfanyl]-5-thiophen-2-yl-1,2,4-triazol-4-yl]propanamide

Systemtic Name: 3-[3-[(7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methylsulfanyl]-5-thiophen-2-yl-1,2,4-triazol-4-yl]propanamide Openeye Name: 3-[3-[(7,8-dimethyl-2-oxo-chromen-4-yl)methylsulfanyl]-5-(2-thienyl)-1,2,4-triazol-4-yl]propanamide CAS Name: 3-[3-[(7,8-dimethyl-2-oxo-1-benzopyran-4-yl)methylthio]-5-thiophen-2-yl-1,2,4-triazol-4-yl]propanamide IUPAC Name: 3-[3-[(7,8-dimethyl-2-oxochromen-4-yl)methylsulfanyl]-5-thiophen-2-yl-1,2,4-triazol-4-yl]propanamide Traditional Name: 3-[3-[(2-keto-7,8-dimethyl-chromen-4-yl)methylthio]-5-(2-thienyl)-1,2,4-triazol-4-yl]propionamide Formula: C21H20N4O3S2 MolecularWeight: 440.5385

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=CC(=O)O2)CSC3=NN=C(N3CCC(=O)N)C4=CC=CS4)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=CC(=O)O2)CSC3=NN=C(N3CCC(=O)N)C4=CC=CS4)C

InChI

InChI=1S/C21H20N4O3S2/c1-12-5-6-15-14(10-18(27)28-19(15)13(12)2)11-30-21-24-23-20(16-4-3-9-29-16)25(21)8-7-17(22)26/h3-6,9-10H,7-8,11H2,1-2H3,(H2,22,26)