N-(2-dimethylaminoethyl)-4-[[5-(4-methylphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]butanamide

Systemtic Name: N-(2-dimethylaminoethyl)-4-[[5-(4-methylphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]butanamide Openeye Name: N-(2-dimethylaminoethyl)-4-[[4-phenyl-5-(p-tolyl)-1,2,4-triazol-3-yl]sulfanyl]butanamide CAS Name: N-(2-dimethylaminoethyl)-4-[[5-(4-methylphenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]butanamide IUPAC Name: N-(2-dimethylaminoethyl)-4-[[5-(4-methylphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]butanamide Traditional Name: N-(2-dimethylaminoethyl)-4-[[4-phenyl-5-(p-tolyl)-1,2,4-triazol-3-yl]thio]butyramide Formula: C23H29N5OS MolecularWeight: 423.57426

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCCCC(=O)NCCN(C)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCCCC(=O)NCCN(C)C

InChI

InChI=1S/C23H29N5OS/c1-18-11-13-19(14-12-18)22-25-26-23(28(22)20-8-5-4-6-9-20)30-17-7-10-21(29)24-15-16-27(2)3/h4-6,8-9,11-14H,7,10,15-17H2,1-3H3,(H,24,29)