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

Systemtic Name: N-(phenylmethyl)-2-[[4-(2-propan-2-ylphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]butanamide Openeye Name: N-benzyl-2-[[4-(2-isopropylphenyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]butanamide CAS Name: N-(phenylmethyl)-2-[[4-(2-propan-2-ylphenyl)-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]butanamide IUPAC Name: N-benzyl-2-[[4-(2-propan-2-ylphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]butanamide Traditional Name: N-benzyl-2-[[4-o-cumenyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]butyramide Formula: C27H29N5OS MolecularWeight: 471.61706

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NCC1=CC=CC=C1)SC2=NN=C(N2C3=CC=CC=C3C(C)C)C4=CN=CC=C4

Isomeric SMILES

CCC(C(=O)NCC1=CC=CC=C1)SC2=NN=C(N2C3=CC=CC=C3C(C)C)C4=CN=CC=C4

InChI

InChI=1S/C27H29N5OS/c1-4-24(26(33)29-17-20-11-6-5-7-12-20)34-27-31-30-25(21-13-10-16-28-18-21)32(27)23-15-9-8-14-22(23)19(2)3/h5-16,18-19,24H,4,17H2,1-3H3,(H,29,33)