2-[[5-cyclopropyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(phenylmethyl)butanamide

Systemtic Name: 2-[[5-cyclopropyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(phenylmethyl)butanamide Openeye Name: N-benzyl-2-[(4-benzyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]butanamide CAS Name: 2-[[5-cyclopropyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]thio]-N-(phenylmethyl)butanamide IUPAC Name: N-benzyl-2-[(4-benzyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]butanamide Traditional Name: N-benzyl-2-[(4-benzyl-5-cyclopropyl-1,2,4-triazol-3-yl)thio]butyramide Formula: C23H26N4OS MolecularWeight: 406.54374

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NCC1=CC=CC=C1)SC2=NN=C(N2CC3=CC=CC=C3)C4CC4

Isomeric SMILES

CCC(C(=O)NCC1=CC=CC=C1)SC2=NN=C(N2CC3=CC=CC=C3)C4CC4

InChI

InChI=1S/C23H26N4OS/c1-2-20(22(28)24-15-17-9-5-3-6-10-17)29-23-26-25-21(19-13-14-19)27(23)16-18-11-7-4-8-12-18/h3-12,19-20H,2,13-16H2,1H3,(H,24,28)