5-azanyl-3-morpholin-4-yl-N-(phenylmethyl)-1,2,4-triazole-1-carbothioamide

Systemtic Name: 5-azanyl-3-morpholin-4-yl-N-(phenylmethyl)-1,2,4-triazole-1-carbothioamide Openeye Name: 5-amino-N-benzyl-3-morpholino-1,2,4-triazole-1-carbothioamide CAS Name: 5-amino-3-(4-morpholinyl)-N-(phenylmethyl)-1,2,4-triazole-1-carbothioamide IUPAC Name: 5-amino-N-benzyl-3-morpholin-4-yl-1,2,4-triazole-1-carbothioamide Traditional Name: 5-amino-N-benzyl-3-morpholino-1,2,4-triazole-1-carbothioamide Formula: C14H18N6OS MolecularWeight: 318.39732

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=NN(C(=N2)N)C(=S)NCC3=CC=CC=C3

Isomeric SMILES

C1COCCN1C2=NN(C(=N2)N)C(=S)NCC3=CC=CC=C3

InChI

InChI=1S/C14H18N6OS/c15-12-17-13(19-6-8-21-9-7-19)18-20(12)14(22)16-10-11-4-2-1-3-5-11/h1-5H,6-10H2,(H,16,22)(H2,15,17,18)