4-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-8-methyl-7-oxidanyl-chromen-2-one

Systemtic Name: 4-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-8-methyl-7-oxidanyl-chromen-2-one Openeye Name: 4-[[4-cyclopropyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-7-hydroxy-8-methyl-chromen-2-one CAS Name: 4-[[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]methyl]-7-hydroxy-8-methyl-1-benzopyran-2-one IUPAC Name: 4-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-7-hydroxy-8-methylchromen-2-one Traditional Name: 4-[[[4-cyclopropyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]methyl]-7-hydroxy-8-methyl-coumarin Formula: C20H17N3O3S2 MolecularWeight: 411.49728

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1OC(=O)C=C2CSC3=NN=C(N3C4CC4)C5=CC=CS5)O

Isomeric SMILES

CC1=C(C=CC2=C1OC(=O)C=C2CSC3=NN=C(N3C4CC4)C5=CC=CS5)O

InChI

InChI=1S/C20H17N3O3S2/c1-11-15(24)7-6-14-12(9-17(25)26-18(11)14)10-28-20-22-21-19(16-3-2-8-27-16)23(20)13-4-5-13/h2-3,6-9,13,24H,4-5,10H2,1H3