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

Systemtic Name: 6-chloranyl-7-methyl-4-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]chromen-2-one Openeye Name: 6-chloro-7-methyl-4-[[5-(4-pyridyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]chromen-2-one CAS Name: 6-chloro-7-methyl-4-[[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)thio]methyl]-1-benzopyran-2-one IUPAC Name: 6-chloro-7-methyl-4-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]chromen-2-one Traditional Name: 6-chloro-7-methyl-4-[[[5-(4-pyridyl)-1H-1,2,4-triazol-3-yl]thio]methyl]coumarin Formula: C18H13ClN4O2S MolecularWeight: 384.83942

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)CSC3=NNC(=N3)C4=CC=NC=C4)Cl

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)CSC3=NNC(=N3)C4=CC=NC=C4)Cl

InChI

InChI=1S/C18H13ClN4O2S/c1-10-6-15-13(8-14(10)19)12(7-16(24)25-15)9-26-18-21-17(22-23-18)11-2-4-20-5-3-11/h2-8H,9H2,1H3,(H,21,22,23)