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

Systemtic Name: 7-methyl-4-[[4-(phenylmethyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-6-propan-2-yl-chromen-2-one Openeye Name: 4-[[4-benzyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-6-isopropyl-7-methyl-chromen-2-one CAS Name: 7-methyl-4-[[[4-(phenylmethyl)-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]methyl]-6-propan-2-yl-1-benzopyran-2-one IUPAC Name: 4-[(4-benzyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-7-methyl-6-propan-2-ylchromen-2-one Traditional Name: 4-[[[4-benzyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]methyl]-6-isopropyl-7-methyl-coumarin Formula: C28H26N4O2S MolecularWeight: 482.59664

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)CSC3=NN=C(N3CC4=CC=CC=C4)C5=CN=CC=C5)C(C)C

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)CSC3=NN=C(N3CC4=CC=CC=C4)C5=CN=CC=C5)C(C)C

InChI

InChI=1S/C28H26N4O2S/c1-18(2)23-14-24-22(13-26(33)34-25(24)12-19(23)3)17-35-28-31-30-27(21-10-7-11-29-15-21)32(28)16-20-8-5-4-6-9-20/h4-15,18H,16-17H2,1-3H3