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

Systemtic Name: N-[[5-[(4-chlorophenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]-4-methoxy-benzamide Openeye Name: N-[[4-allyl-5-[(4-chlorophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]-4-methoxy-benzamide CAS Name: N-[[5-[(4-chlorophenyl)methylthio]-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]-4-methoxybenzamide IUPAC Name: N-[[5-[(4-chlorophenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]-4-methoxybenzamide Traditional Name: N-[[4-allyl-5-[(4-chlorobenzyl)thio]-1,2,4-triazol-3-yl]methyl]-4-methoxy-benzamide Formula: C21H21ClN4O2S MolecularWeight: 428.93504

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21ClN4O2S/c1-3-12-26-19(13-23-20(27)16-6-10-18(28-2)11-7-16)24-25-21(26)29-14-15-4-8-17(22)9-5-15/h3-11H,1,12-14H2,2H3,(H,23,27)