5-azanyl-N-(1,3-benzodioxol-5-ylmethyl)-1-(3-methylsulfanylphenyl)-1,2,3-triazole-4-carboxamide

Systemtic Name: 5-azanyl-N-(1,3-benzodioxol-5-ylmethyl)-1-(3-methylsulfanylphenyl)-1,2,3-triazole-4-carboxamide Openeye Name: 5-amino-N-(1,3-benzodioxol-5-ylmethyl)-1-(3-methylsulfanylphenyl)triazole-4-carboxamide CAS Name: 5-amino-N-(1,3-benzodioxol-5-ylmethyl)-1-[3-(methylthio)phenyl]-4-triazolecarboxamide IUPAC Name: 5-amino-N-(1,3-benzodioxol-5-ylmethyl)-1-(3-methylsulfanylphenyl)triazole-4-carboxamide Traditional Name: 5-amino-1-[3-(methylthio)phenyl]-N-piperonyl-triazole-4-carboxamide Formula: C18H17N5O3S MolecularWeight: 383.42428

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)N2C(=C(N=N2)C(=O)NCC3=CC4=C(C=C3)OCO4)N

Isomeric SMILES

CSC1=CC=CC(=C1)N2C(=C(N=N2)C(=O)NCC3=CC4=C(C=C3)OCO4)N

InChI

InChI=1S/C18H17N5O3S/c1-27-13-4-2-3-12(8-13)23-17(19)16(21-22-23)18(24)20-9-11-5-6-14-15(7-11)26-10-25-14/h2-8H,9-10,19H2,1H3,(H,20,24)