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

Systemtic Name: 4-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-7,8-dimethyl-chromen-2-one Openeye Name: 4-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-7,8-dimethyl-chromen-2-one CAS Name: 4-[[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)thio]methyl]-7,8-dimethyl-1-benzopyran-2-one IUPAC Name: 4-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-7,8-dimethylchromen-2-one Traditional Name: 4-[[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)thio]methyl]-7,8-dimethyl-coumarin Formula: C23H21N3O2S MolecularWeight: 403.49674

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=CC(=O)O2)CSC3=NN=C(N3C4=CC=CC=C4)C5CC5)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=CC(=O)O2)CSC3=NN=C(N3C4=CC=CC=C4)C5CC5)C

InChI

InChI=1S/C23H21N3O2S/c1-14-8-11-19-17(12-20(27)28-21(19)15(14)2)13-29-23-25-24-22(16-9-10-16)26(23)18-6-4-3-5-7-18/h3-8,11-12,16H,9-10,13H2,1-2H3