4-[[4-(3-azanyl-3-oxidanylidene-propyl)-5-cyclopropyl-1,2,4-triazol-3-yl]sulfanylmethyl]-N-phenyl-benzamide

Systemtic Name: 4-[[4-(3-azanyl-3-oxidanylidene-propyl)-5-cyclopropyl-1,2,4-triazol-3-yl]sulfanylmethyl]-N-phenyl-benzamide Openeye Name: 4-[[4-(3-amino-3-oxo-propyl)-5-cyclopropyl-1,2,4-triazol-3-yl]sulfanylmethyl]-N-phenyl-benzamide CAS Name: 4-[[[4-(3-amino-3-oxopropyl)-5-cyclopropyl-1,2,4-triazol-3-yl]thio]methyl]-N-phenylbenzamide IUPAC Name: 4-[[4-(3-amino-3-oxopropyl)-5-cyclopropyl-1,2,4-triazol-3-yl]sulfanylmethyl]-N-phenylbenzamide Traditional Name: 4-[[[4-(3-amino-3-keto-propyl)-5-cyclopropyl-1,2,4-triazol-3-yl]thio]methyl]-N-phenyl-benzamide Formula: C22H23N5O2S MolecularWeight: 421.51532

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NN=C(N2CCC(=O)N)SCC3=CC=C(C=C3)C(=O)NC4=CC=CC=C4

Isomeric SMILES

C1CC1C2=NN=C(N2CCC(=O)N)SCC3=CC=C(C=C3)C(=O)NC4=CC=CC=C4

InChI

InChI=1S/C22H23N5O2S/c23-19(28)12-13-27-20(16-10-11-16)25-26-22(27)30-14-15-6-8-17(9-7-15)21(29)24-18-4-2-1-3-5-18/h1-9,16H,10-14H2,(H2,23,28)(H,24,29)