(2S)-2-[(4-azanyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methoxy-5-methyl-phenyl)-2-phenyl-ethanamide

Systemtic Name: (2S)-2-[(4-azanyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methoxy-5-methyl-phenyl)-2-phenyl-ethanamide Openeye Name: (2S)-2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methoxy-5-methyl-phenyl)-2-phenyl-acetamide CAS Name: (2S)-2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)thio]-N-(2-methoxy-5-methylphenyl)-2-phenylacetamide IUPAC Name: (2S)-2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methoxy-5-methylphenyl)-2-phenylacetamide Traditional Name: (2S)-2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)thio]-N-(2-methoxy-5-methyl-phenyl)-2-phenyl-acetamide Formula: C21H23N5O2S MolecularWeight: 409.50462

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)NC(=O)C(C2=CC=CC=C2)SC3=NN=C(N3N)C4CC4

Isomeric SMILES

CC1=CC(=C(C=C1)OC)NC(=O)[C@H](C2=CC=CC=C2)SC3=NN=C(N3N)C4CC4

InChI

InChI=1S/C21H23N5O2S/c1-13-8-11-17(28-2)16(12-13)23-20(27)18(14-6-4-3-5-7-14)29-21-25-24-19(26(21)22)15-9-10-15/h3-8,11-12,15,18H,9-10,22H2,1-2H3,(H,23,27)/t18-/m0/s1