4-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-7-methyl-6-propan-2-yl-chromen-2-one

Systemtic Name: 4-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-7-methyl-6-propan-2-yl-chromen-2-one Openeye Name: 4-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-6-isopropyl-7-methyl-chromen-2-one CAS Name: 4-[[(4,5-diphenyl-1,2,4-triazol-3-yl)thio]methyl]-7-methyl-6-propan-2-yl-1-benzopyran-2-one IUPAC Name: 4-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-7-methyl-6-propan-2-ylchromen-2-one Traditional Name: 4-[[(4,5-diphenyl-1,2,4-triazol-3-yl)thio]methyl]-6-isopropyl-7-methyl-coumarin Formula: C28H25N3O2S MolecularWeight: 467.582

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)CSC3=NN=C(N3C4=CC=CC=C4)C5=CC=CC=C5)C(C)C

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)CSC3=NN=C(N3C4=CC=CC=C4)C5=CC=CC=C5)C(C)C

InChI

InChI=1S/C28H25N3O2S/c1-18(2)23-16-24-21(15-26(32)33-25(24)14-19(23)3)17-34-28-30-29-27(20-10-6-4-7-11-20)31(28)22-12-8-5-9-13-22/h4-16,18H,17H2,1-3H3