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

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

C1CC1N2C(=NN=C2SCC3=CC=C(C=C3)C(=O)NC4=CC=CC=C4)CCC(=O)N

Isomeric SMILES

C1CC1N2C(=NN=C2SCC3=CC=C(C=C3)C(=O)NC4=CC=CC=C4)CCC(=O)N

InChI

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