N-[[5-(2-dimethylaminoethylsulfanyl)-4-(3-methoxyphenyl)-1,2,4-triazol-3-yl]methyl]-4-methyl-benzamide

Systemtic Name: N-[[5-(2-dimethylaminoethylsulfanyl)-4-(3-methoxyphenyl)-1,2,4-triazol-3-yl]methyl]-4-methyl-benzamide Openeye Name: N-[[5-(2-dimethylaminoethylsulfanyl)-4-(3-methoxyphenyl)-1,2,4-triazol-3-yl]methyl]-4-methyl-benzamide CAS Name: N-[[5-(2-dimethylaminoethylthio)-4-(3-methoxyphenyl)-1,2,4-triazol-3-yl]methyl]-4-methylbenzamide IUPAC Name: N-[[5-(2-dimethylaminoethylsulfanyl)-4-(3-methoxyphenyl)-1,2,4-triazol-3-yl]methyl]-4-methylbenzamide Traditional Name: N-[[5-(2-dimethylaminoethylthio)-4-(3-methoxyphenyl)-1,2,4-triazol-3-yl]methyl]-4-methyl-benzamide Formula: C22H27N5O2S MolecularWeight: 425.54708

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NCC2=NN=C(N2C3=CC(=CC=C3)OC)SCCN(C)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)NCC2=NN=C(N2C3=CC(=CC=C3)OC)SCCN(C)C

InChI

InChI=1S/C22H27N5O2S/c1-16-8-10-17(11-9-16)21(28)23-15-20-24-25-22(30-13-12-26(2)3)27(20)18-6-5-7-19(14-18)29-4/h5-11,14H,12-13,15H2,1-4H3,(H,23,28)