5-azanyl-1-(3,4-dimethoxyphenyl)-N-(thiophen-2-ylmethyl)-1,2,3-triazole-4-carboxamide

Systemtic Name: 5-azanyl-1-(3,4-dimethoxyphenyl)-N-(thiophen-2-ylmethyl)-1,2,3-triazole-4-carboxamide Openeye Name: 5-amino-1-(3,4-dimethoxyphenyl)-N-(2-thienylmethyl)triazole-4-carboxamide CAS Name: 5-amino-1-(3,4-dimethoxyphenyl)-N-(thiophen-2-ylmethyl)-4-triazolecarboxamide IUPAC Name: 5-amino-1-(3,4-dimethoxyphenyl)-N-(thiophen-2-ylmethyl)triazole-4-carboxamide Traditional Name: 5-amino-1-(3,4-dimethoxyphenyl)-N-(2-thenyl)triazole-4-carboxamide Formula: C16H17N5O3S MolecularWeight: 359.40288

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)N2C(=C(N=N2)C(=O)NCC3=CC=CS3)N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)N2C(=C(N=N2)C(=O)NCC3=CC=CS3)N)OC

InChI

InChI=1S/C16H17N5O3S/c1-23-12-6-5-10(8-13(12)24-2)21-15(17)14(19-20-21)16(22)18-9-11-4-3-7-25-11/h3-8H,9,17H2,1-2H3,(H,18,22)