1-[(E)-[4-(5-phenyl-1,2,3-triazol-1-yl)phenyl]methylideneamino]thiourea

Systemtic Name: 1-[(E)-[4-(5-phenyl-1,2,3-triazol-1-yl)phenyl]methylideneamino]thiourea Openeye Name: [(E)-[4-(5-phenyltriazol-1-yl)phenyl]methyleneamino]thiourea CAS Name: [(E)-[4-(5-phenyl-1-triazolyl)phenyl]methylideneamino]thiourea IUPAC Name: [(E)-[4-(5-phenyltriazol-1-yl)phenyl]methylideneamino]thiourea Traditional Name: [(E)-[4-(5-phenyltriazol-1-yl)benzylidene]amino]thiourea Formula: C16H14N6S MolecularWeight: 322.38756

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CN=NN2C3=CC=C(C=C3)C=NNC(=S)N

Isomeric SMILES

C1=CC=C(C=C1)C2=CN=NN2C3=CC=C(C=C3)/C=N/NC(=S)N

InChI

InChI=1S/C16H14N6S/c17-16(23)20-18-10-12-6-8-14(9-7-12)22-15(11-19-21-22)13-4-2-1-3-5-13/h1-11H,(H3,17,20,23)/b18-10+