5-azanyl-1-[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl]-N-(thiophen-2-ylmethyl)-1,2,3-triazole-4-carboxamide

Systemtic Name: 5-azanyl-1-[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl]-N-(thiophen-2-ylmethyl)-1,2,3-triazole-4-carboxamide Openeye Name: 5-amino-1-[2-(1,3-benzodioxol-5-ylamino)-2-oxo-ethyl]-N-(2-thienylmethyl)triazole-4-carboxamide CAS Name: 5-amino-1-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]-N-(thiophen-2-ylmethyl)-4-triazolecarboxamide IUPAC Name: 5-amino-1-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]-N-(thiophen-2-ylmethyl)triazole-4-carboxamide Traditional Name: 5-amino-1-[2-(1,3-benzodioxol-5-ylamino)-2-keto-ethyl]-N-(2-thenyl)triazole-4-carboxamide Formula: C17H16N6O4S MolecularWeight: 400.41174

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)NC(=O)CN3C(=C(N=N3)C(=O)NCC4=CC=CS4)N

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)NC(=O)CN3C(=C(N=N3)C(=O)NCC4=CC=CS4)N

InChI

InChI=1S/C17H16N6O4S/c18-16-15(17(25)19-7-11-2-1-5-28-11)21-22-23(16)8-14(24)20-10-3-4-12-13(6-10)27-9-26-12/h1-6H,7-9,18H2,(H,19,25)(H,20,24)