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

Systemtic Name: 4-[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-1-thiophen-2-yl-butan-1-one Openeye Name: 4-[[4-phenyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(2-thienyl)butan-1-one CAS Name: 4-[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]-1-thiophen-2-yl-1-butanone IUPAC Name: 4-[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-1-thiophen-2-ylbutan-1-one Traditional Name: 4-[[4-phenyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]-1-(2-thienyl)butan-1-one Formula: C20H17N3OS3 MolecularWeight: 411.56348

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NN=C2SCCCC(=O)C3=CC=CS3)C4=CC=CS4

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NN=C2SCCCC(=O)C3=CC=CS3)C4=CC=CS4

InChI

InChI=1S/C20H17N3OS3/c24-16(17-10-5-12-25-17)9-4-14-27-20-22-21-19(18-11-6-13-26-18)23(20)15-7-2-1-3-8-15/h1-3,5-8,10-13H,4,9,14H2