2-[[4-(2-methoxyphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]cycloheptan-1-one

Systemtic Name: 2-[[4-(2-methoxyphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]cycloheptan-1-one Openeye Name: 2-[[4-(2-methoxyphenyl)-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]cycloheptanone CAS Name: 2-[[4-(2-methoxyphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]thio]-1-cycloheptanone IUPAC Name: 2-[[4-(2-methoxyphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]cycloheptan-1-one Traditional Name: 2-[[4-(2-methoxyphenyl)-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]cycloheptanone Formula: C20H21N3O2S2 MolecularWeight: 399.52964

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2C(=NN=C2SC3CCCCCC3=O)C4=CC=CS4

Isomeric SMILES

COC1=CC=CC=C1N2C(=NN=C2SC3CCCCCC3=O)C4=CC=CS4

InChI

InChI=1S/C20H21N3O2S2/c1-25-16-10-6-5-8-14(16)23-19(18-12-7-13-26-18)21-22-20(23)27-17-11-4-2-3-9-15(17)24/h5-8,10,12-13,17H,2-4,9,11H2,1H3