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

Systemtic Name: 3-[5-[(7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]propanamide Openeye Name: 3-[5-[(7,8-dimethyl-2-oxo-chromen-4-yl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]propanamide CAS Name: 3-[5-[(7,8-dimethyl-2-oxo-1-benzopyran-4-yl)methylthio]-4-methyl-1,2,4-triazol-3-yl]propanamide IUPAC Name: 3-[5-[(7,8-dimethyl-2-oxochromen-4-yl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]propanamide Traditional Name: 3-[5-[(2-keto-7,8-dimethyl-chromen-4-yl)methylthio]-4-methyl-1,2,4-triazol-3-yl]propionamide Formula: C18H20N4O3S MolecularWeight: 372.4414

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=CC(=O)O2)CSC3=NN=C(N3C)CCC(=O)N)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=CC(=O)O2)CSC3=NN=C(N3C)CCC(=O)N)C

InChI

InChI=1S/C18H20N4O3S/c1-10-4-5-13-12(8-16(24)25-17(13)11(10)2)9-26-18-21-20-15(22(18)3)7-6-14(19)23/h4-5,8H,6-7,9H2,1-3H3,(H2,19,23)