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

Systemtic Name: 2-[[5-cyclopropyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-thiophen-2-yl-ethanone Openeye Name: 2-[(4-benzyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-1-(2-thienyl)ethanone CAS Name: 2-[[5-cyclopropyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]thio]-1-thiophen-2-ylethanone IUPAC Name: 2-[(4-benzyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-1-thiophen-2-ylethanone Traditional Name: 2-[(4-benzyl-5-cyclopropyl-1,2,4-triazol-3-yl)thio]-1-(2-thienyl)ethanone Formula: C18H17N3OS2 MolecularWeight: 355.47708

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NN=C(N2CC3=CC=CC=C3)SCC(=O)C4=CC=CS4

Isomeric SMILES

C1CC1C2=NN=C(N2CC3=CC=CC=C3)SCC(=O)C4=CC=CS4

InChI

InChI=1S/C18H17N3OS2/c22-15(16-7-4-10-23-16)12-24-18-20-19-17(14-8-9-14)21(18)11-13-5-2-1-3-6-13/h1-7,10,14H,8-9,11-12H2