2-[[4-cyclopropyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-naphthalen-2-yl-ethanone

Systemtic Name: 2-[[4-cyclopropyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-naphthalen-2-yl-ethanone Openeye Name: 2-[[4-cyclopropyl-5-(2-thienylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(2-naphthyl)ethanone CAS Name: 2-[[4-cyclopropyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]thio]-1-(2-naphthalenyl)ethanone IUPAC Name: 2-[[4-cyclopropyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-naphthalen-2-ylethanone Traditional Name: 2-[[4-cyclopropyl-5-(2-thenyl)-1,2,4-triazol-3-yl]thio]-1-(2-naphthyl)ethanone Formula: C22H19N3OS2 MolecularWeight: 405.53576

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(=NN=C2SCC(=O)C3=CC4=CC=CC=C4C=C3)CC5=CC=CS5

Isomeric SMILES

C1CC1N2C(=NN=C2SCC(=O)C3=CC4=CC=CC=C4C=C3)CC5=CC=CS5

InChI

InChI=1S/C22H19N3OS2/c26-20(17-8-7-15-4-1-2-5-16(15)12-17)14-28-22-24-23-21(25(22)18-9-10-18)13-19-6-3-11-27-19/h1-8,11-12,18H,9-10,13-14H2