4-tert-butyl-N-[3-[[5-cyclopropyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propanoyl]benzamide

Systemtic Name: 4-tert-butyl-N-[3-[[5-cyclopropyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propanoyl]benzamide Openeye Name: N-[3-[(4-benzyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]propanoyl]-4-tert-butyl-benzamide CAS Name: 4-tert-butyl-N-[3-[[5-cyclopropyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]thio]-1-oxopropyl]benzamide IUPAC Name: N-[3-[(4-benzyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]propanoyl]-4-tert-butylbenzamide Traditional Name: N-[3-[(4-benzyl-5-cyclopropyl-1,2,4-triazol-3-yl)thio]propanoyl]-4-tert-butyl-benzamide Formula: C26H30N4O2S MolecularWeight: 462.607

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)NC(=O)CCSC2=NN=C(N2CC3=CC=CC=C3)C4CC4

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NC(=O)CCSC2=NN=C(N2CC3=CC=CC=C3)C4CC4

InChI

InChI=1S/C26H30N4O2S/c1-26(2,3)21-13-11-20(12-14-21)24(32)27-22(31)15-16-33-25-29-28-23(19-9-10-19)30(25)17-18-7-5-4-6-8-18/h4-8,11-14,19H,9-10,15-17H2,1-3H3,(H,27,31,32)