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

Systemtic Name: 1-phenyl-4-[[4-phenyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]butan-1-one Openeye Name: 1-phenyl-4-[[4-phenyl-5-(2-thienylmethyl)-1,2,4-triazol-3-yl]sulfanyl]butan-1-one CAS Name: 1-phenyl-4-[[4-phenyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]thio]-1-butanone IUPAC Name: 1-phenyl-4-[[4-phenyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]butan-1-one Traditional Name: 1-phenyl-4-[[4-phenyl-5-(2-thenyl)-1,2,4-triazol-3-yl]thio]butan-1-one Formula: C23H21N3OS2 MolecularWeight: 419.56234

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)CCCSC2=NN=C(N2C3=CC=CC=C3)CC4=CC=CS4

Isomeric SMILES

C1=CC=C(C=C1)C(=O)CCCSC2=NN=C(N2C3=CC=CC=C3)CC4=CC=CS4

InChI

InChI=1S/C23H21N3OS2/c27-21(18-9-3-1-4-10-18)14-8-16-29-23-25-24-22(17-20-13-7-15-28-20)26(23)19-11-5-2-6-12-19/h1-7,9-13,15H,8,14,16-17H2