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

Systemtic Name: 2-[[4-azanyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-propan-2-ylphenyl)ethanamide Openeye Name: 2-[(4-amino-5-benzyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-isopropylphenyl)acetamide CAS Name: 2-[[4-amino-5-(phenylmethyl)-1,2,4-triazol-3-yl]thio]-N-(4-propan-2-ylphenyl)acetamide IUPAC Name: 2-[(4-amino-5-benzyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)acetamide Traditional Name: 2-[(4-amino-5-benzyl-1,2,4-triazol-3-yl)thio]-N-p-cumenyl-acetamide Formula: C20H23N5OS MolecularWeight: 381.49452

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2N)CC3=CC=CC=C3

Isomeric SMILES

CC(C)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2N)CC3=CC=CC=C3

InChI

InChI=1S/C20H23N5OS/c1-14(2)16-8-10-17(11-9-16)22-19(26)13-27-20-24-23-18(25(20)21)12-15-6-4-3-5-7-15/h3-11,14H,12-13,21H2,1-2H3,(H,22,26)