4-[[4-phenyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-thiophen-2-yl-butan-1-one

Systemtic Name: 4-[[4-phenyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-thiophen-2-yl-butan-1-one Openeye Name: 4-[[4-phenyl-5-(2-thienylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(2-thienyl)butan-1-one CAS Name: 4-[[4-phenyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]thio]-1-thiophen-2-yl-1-butanone IUPAC Name: 4-[[4-phenyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-thiophen-2-ylbutan-1-one Traditional Name: 4-[[4-phenyl-5-(2-thenyl)-1,2,4-triazol-3-yl]thio]-1-(2-thienyl)butan-1-one Formula: C21H19N3OS3 MolecularWeight: 425.59006

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NN=C2SCCCC(=O)C3=CC=CS3)CC4=CC=CS4

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NN=C2SCCCC(=O)C3=CC=CS3)CC4=CC=CS4

InChI

InChI=1S/C21H19N3OS3/c25-18(19-11-6-13-27-19)10-5-14-28-21-23-22-20(15-17-9-4-12-26-17)24(21)16-7-2-1-3-8-16/h1-4,6-9,11-13H,5,10,14-15H2