1-[(E)-[1-(phenylmethyl)pyrazol-4-yl]methylideneamino]thiourea

Systemtic Name: 1-[(E)-[1-(phenylmethyl)pyrazol-4-yl]methylideneamino]thiourea Openeye Name: [(E)-(1-benzylpyrazol-4-yl)methyleneamino]thiourea CAS Name: [(E)-[1-(phenylmethyl)-4-pyrazolyl]methylideneamino]thiourea IUPAC Name: [(E)-(1-benzylpyrazol-4-yl)methylideneamino]thiourea Traditional Name: [(E)-(1-benzylpyrazol-4-yl)methyleneamino]thiourea Formula: C12H13N5S MolecularWeight: 259.33012

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=C(C=N2)C=NNC(=S)N

Isomeric SMILES

C1=CC=C(C=C1)CN2C=C(C=N2)/C=N/NC(=S)N

InChI

InChI=1S/C12H13N5S/c13-12(18)16-14-6-11-7-15-17(9-11)8-10-4-2-1-3-5-10/h1-7,9H,8H2,(H3,13,16,18)/b14-6+