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

Systemtic Name: 3-[4-cyclopropyl-5-[(7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methylsulfanyl]-1,2,4-triazol-3-yl]propanamide Openeye Name: 3-[4-cyclopropyl-5-[(7,8-dimethyl-2-oxo-chromen-4-yl)methylsulfanyl]-1,2,4-triazol-3-yl]propanamide CAS Name: 3-[4-cyclopropyl-5-[(7,8-dimethyl-2-oxo-1-benzopyran-4-yl)methylthio]-1,2,4-triazol-3-yl]propanamide IUPAC Name: 3-[4-cyclopropyl-5-[(7,8-dimethyl-2-oxochromen-4-yl)methylsulfanyl]-1,2,4-triazol-3-yl]propanamide Traditional Name: 3-[4-cyclopropyl-5-[(2-keto-7,8-dimethyl-chromen-4-yl)methylthio]-1,2,4-triazol-3-yl]propionamide Formula: C20H22N4O3S MolecularWeight: 398.47868

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=CC(=O)O2)CSC3=NN=C(N3C4CC4)CCC(=O)N)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=CC(=O)O2)CSC3=NN=C(N3C4CC4)CCC(=O)N)C

InChI

InChI=1S/C20H22N4O3S/c1-11-3-6-15-13(9-18(26)27-19(15)12(11)2)10-28-20-23-22-17(8-7-16(21)25)24(20)14-4-5-14/h3,6,9,14H,4-5,7-8,10H2,1-2H3,(H2,21,25)