N-[[5-[(4-fluorophenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]-3-methoxy-benzamide

Systemtic Name: N-[[5-[(4-fluorophenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]-3-methoxy-benzamide Openeye Name: N-[[4-allyl-5-[(4-fluorophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]-3-methoxy-benzamide CAS Name: N-[[5-[(4-fluorophenyl)methylthio]-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]-3-methoxybenzamide IUPAC Name: N-[[5-[(4-fluorophenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]-3-methoxybenzamide Traditional Name: N-[[4-allyl-5-[(4-fluorobenzyl)thio]-1,2,4-triazol-3-yl]methyl]-3-methoxy-benzamide Formula: C21H21FN4O2S MolecularWeight: 412.480443

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(=O)NCC2=NN=C(N2CC=C)SCC3=CC=C(C=C3)F

Isomeric SMILES

COC1=CC=CC(=C1)C(=O)NCC2=NN=C(N2CC=C)SCC3=CC=C(C=C3)F

InChI

InChI=1S/C21H21FN4O2S/c1-3-11-26-19(13-23-20(27)16-5-4-6-18(12-16)28-2)24-25-21(26)29-14-15-7-9-17(22)10-8-15/h3-10,12H,1,11,13-14H2,2H3,(H,23,27)