4-azanyl-7-(phenylmethyl)pyrrolo[2,3-d][1,2,3]triazine-5-carbothioamide

Systemtic Name: 4-azanyl-7-(phenylmethyl)pyrrolo[2,3-d][1,2,3]triazine-5-carbothioamide Openeye Name: 4-amino-7-benzyl-pyrrolo[2,3-d]triazine-5-carbothioamide CAS Name: 4-amino-7-(phenylmethyl)-5-pyrrolo[2,3-d]triazinecarbothioamide IUPAC Name: 4-amino-7-benzylpyrrolo[2,3-d]triazine-5-carbothioamide Traditional Name: 4-amino-7-benzyl-pyrrolo[2,3-d]triazine-5-carbothioamide Formula: C13H12N6S MolecularWeight: 284.33958

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=C(C3=C2N=NN=C3N)C(=S)N

Isomeric SMILES

C1=CC=C(C=C1)CN2C=C(C3=C2N=NN=C3N)C(=S)N

InChI

InChI=1S/C13H12N6S/c14-11-10-9(12(15)20)7-19(13(10)17-18-16-11)6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H2,15,20)(H2,14,16,17)