N-(4-dimethylaminophenyl)-2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]propanamide

Systemtic Name: N-(4-dimethylaminophenyl)-2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]propanamide Openeye Name: 2-[(4-allyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-dimethylaminophenyl)propanamide CAS Name: N-(4-dimethylaminophenyl)-2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]propanamide IUPAC Name: N-(4-dimethylaminophenyl)-2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]propanamide Traditional Name: 2-[(4-allyl-5-phenyl-1,2,4-triazol-3-yl)thio]-N-(4-dimethylaminophenyl)propionamide Formula: C22H25N5OS MolecularWeight: 407.5318

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)N(C)C)SC2=NN=C(N2CC=C)C3=CC=CC=C3

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)N(C)C)SC2=NN=C(N2CC=C)C3=CC=CC=C3

InChI

InChI=1S/C22H25N5OS/c1-5-15-27-20(17-9-7-6-8-10-17)24-25-22(27)29-16(2)21(28)23-18-11-13-19(14-12-18)26(3)4/h5-14,16H,1,15H2,2-4H3,(H,23,28)