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

Systemtic Name: 6-chloranyl-4-[[5-(furan-2-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanylmethyl]-7-methyl-chromen-2-one Openeye Name: 4-[[4-allyl-5-(2-furyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-6-chloro-7-methyl-chromen-2-one CAS Name: 6-chloro-4-[[[5-(2-furanyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]methyl]-7-methyl-1-benzopyran-2-one IUPAC Name: 6-chloro-4-[[5-(furan-2-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanylmethyl]-7-methylchromen-2-one Traditional Name: 4-[[[4-allyl-5-(2-furyl)-1,2,4-triazol-3-yl]thio]methyl]-6-chloro-7-methyl-coumarin Formula: C20H16ClN3O3S MolecularWeight: 413.87734

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)CSC3=NN=C(N3CC=C)C4=CC=CO4)Cl

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)CSC3=NN=C(N3CC=C)C4=CC=CO4)Cl

InChI

InChI=1S/C20H16ClN3O3S/c1-3-6-24-19(16-5-4-7-26-16)22-23-20(24)28-11-13-9-18(25)27-17-8-12(2)15(21)10-14(13)17/h3-5,7-10H,1,6,11H2,2H3