6-[2-(1-oxidanylcyclohexyl)ethynyl]-3-(4-thiophen-3-yl-1,2,3-triazol-1-yl)chromen-2-one

Systemtic Name: 6-[2-(1-oxidanylcyclohexyl)ethynyl]-3-(4-thiophen-3-yl-1,2,3-triazol-1-yl)chromen-2-one Openeye Name: 6-[2-(1-hydroxycyclohexyl)ethynyl]-3-[4-(3-thienyl)triazol-1-yl]chromen-2-one CAS Name: 6-[2-(1-hydroxycyclohexyl)ethynyl]-3-[4-(3-thiophenyl)-1-triazolyl]-1-benzopyran-2-one IUPAC Name: 6-[2-(1-hydroxycyclohexyl)ethynyl]-3-(4-thiophen-3-yltriazol-1-yl)chromen-2-one Traditional Name: 6-[2-(1-hydroxycyclohexyl)ethynyl]-3-[4-(3-thienyl)triazol-1-yl]coumarin Formula: C23H19N3O3S MolecularWeight: 417.48026

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(C#CC2=CC3=C(C=C2)OC(=O)C(=C3)N4C=C(N=N4)C5=CSC=C5)O

Isomeric SMILES

C1CCC(CC1)(C#CC2=CC3=C(C=C2)OC(=O)C(=C3)N4C=C(N=N4)C5=CSC=C5)O

InChI

InChI=1S/C23H19N3O3S/c27-22-20(26-14-19(24-25-26)17-7-11-30-15-17)13-18-12-16(4-5-21(18)29-22)6-10-23(28)8-2-1-3-9-23/h4-5,7,11-15,28H,1-3,8-9H2