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

Systemtic Name: N-(4-dimethylaminophenyl)-2-[[4-phenyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide Openeye Name: N-(4-dimethylaminophenyl)-2-[[4-phenyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide CAS Name: N-(4-dimethylaminophenyl)-2-[[4-phenyl-5-(1-pyrrolidinylmethyl)-1,2,4-triazol-3-yl]thio]propanamide IUPAC Name: N-(4-dimethylaminophenyl)-2-[[4-phenyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide Traditional Name: N-(4-dimethylaminophenyl)-2-[[4-phenyl-5-(pyrrolidinomethyl)-1,2,4-triazol-3-yl]thio]propionamide Formula: C24H30N6OS MolecularWeight: 450.5996

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)N(C)C)SC2=NN=C(N2C3=CC=CC=C3)CN4CCCC4

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)N(C)C)SC2=NN=C(N2C3=CC=CC=C3)CN4CCCC4

InChI

InChI=1S/C24H30N6OS/c1-18(23(31)25-19-11-13-20(14-12-19)28(2)3)32-24-27-26-22(17-29-15-7-8-16-29)30(24)21-9-5-4-6-10-21/h4-6,9-14,18H,7-8,15-17H2,1-3H3,(H,25,31)