2-[[1-(phenylmethyl)-3-thiophen-2-yl-pyrazol-1-ium-4-ylidene]methylamino]guanidine

Systemtic Name: 2-[[1-(phenylmethyl)-3-thiophen-2-yl-pyrazol-1-ium-4-ylidene]methylamino]guanidine Openeye Name: 2-[[1-benzyl-3-(2-thienyl)pyrazol-1-ium-4-ylidene]methylamino]guanidine CAS Name: 2-[[1-(phenylmethyl)-3-thiophen-2-yl-4-pyrazol-1-iumylidene]methylamino]guanidine IUPAC Name: 2-[(1-benzyl-3-thiophen-2-ylpyrazol-1-ium-4-ylidene)methylamino]guanidine Traditional Name: 2-[[1-benzyl-3-(2-thienyl)pyrazol-1-ium-4-ylidene]methylamino]guanidine Formula: C16H17N6S+ MolecularWeight: 325.41138

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C[N+]2=CC(=CNN=C(N)N)C(=N2)C3=CC=CS3

Isomeric SMILES

C1=CC=C(C=C1)C[N+]2=CC(=CNN=C(N)N)C(=N2)C3=CC=CS3

InChI

InChI=1S/C16H16N6S/c17-16(18)20-19-9-13-11-22(10-12-5-2-1-3-6-12)21-15(13)14-7-4-8-23-14/h1-9,11H,10H2,(H4,17,18,20)/p+1