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

Systemtic Name: 4-[[4-(furan-2-ylmethyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-7-methyl-6-propan-2-yl-chromen-2-one Openeye Name: 4-[[4-(2-furylmethyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-6-isopropyl-7-methyl-chromen-2-one CAS Name: 4-[[[4-(2-furanylmethyl)-5-phenyl-1,2,4-triazol-3-yl]thio]methyl]-7-methyl-6-propan-2-yl-1-benzopyran-2-one IUPAC Name: 4-[[4-(furan-2-ylmethyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-7-methyl-6-propan-2-ylchromen-2-one Traditional Name: 4-[[[4-(2-furfuryl)-5-phenyl-1,2,4-triazol-3-yl]thio]methyl]-6-isopropyl-7-methyl-coumarin Formula: C27H25N3O3S MolecularWeight: 471.5707

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)CSC3=NN=C(N3CC4=CC=CO4)C5=CC=CC=C5)C(C)C

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)CSC3=NN=C(N3CC4=CC=CO4)C5=CC=CC=C5)C(C)C

InChI

InChI=1S/C27H25N3O3S/c1-17(2)22-14-23-20(13-25(31)33-24(23)12-18(22)3)16-34-27-29-28-26(19-8-5-4-6-9-19)30(27)15-21-10-7-11-32-21/h4-14,17H,15-16H2,1-3H3