N-[1-(phenylmethyl)pyrrolidin-3-yl]-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide

Systemtic Name: N-[1-(phenylmethyl)pyrrolidin-3-yl]-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(1-benzylpyrrolidin-3-yl)-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: N-[1-(phenylmethyl)-3-pyrrolidinyl]-2-[(1-phenyl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(1-benzylpyrrolidin-3-yl)-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(1-benzylpyrrolidin-3-yl)-2-[(1-phenyl-1,2,4-triazol-3-yl)thio]acetamide Formula: C21H23N5OS MolecularWeight: 393.50522

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC1NC(=O)CSC2=NN(C=N2)C3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

C1CN(CC1NC(=O)CSC2=NN(C=N2)C3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C21H23N5OS/c27-20(15-28-21-22-16-26(24-21)19-9-5-2-6-10-19)23-18-11-12-25(14-18)13-17-7-3-1-4-8-17/h1-10,16,18H,11-15H2,(H,23,27)