5-azanyl-N-butyl-3-(phenylmethylsulfanyl)-1,2,4-triazole-1-carboxamide

Systemtic Name: 5-azanyl-N-butyl-3-(phenylmethylsulfanyl)-1,2,4-triazole-1-carboxamide Openeye Name: 5-amino-3-benzylsulfanyl-N-butyl-1,2,4-triazole-1-carboxamide CAS Name: 5-amino-N-butyl-3-(phenylmethylthio)-1,2,4-triazole-1-carboxamide IUPAC Name: 5-amino-3-benzylsulfanyl-N-butyl-1,2,4-triazole-1-carboxamide Traditional Name: 5-amino-3-(benzylthio)-N-butyl-1,2,4-triazole-1-carboxamide Formula: C14H19N5OS MolecularWeight: 305.39856

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)N1C(=NC(=N1)SCC2=CC=CC=C2)N

Isomeric SMILES

CCCCNC(=O)N1C(=NC(=N1)SCC2=CC=CC=C2)N

InChI

InChI=1S/C14H19N5OS/c1-2-3-9-16-14(20)19-12(15)17-13(18-19)21-10-11-7-5-4-6-8-11/h4-8H,2-3,9-10H2,1H3,(H,16,20)(H2,15,17,18)