1-phenyl-3-(5H-[1,2,4]triazino[5,6-b]indol-3-ylamino)thiourea

Systemtic Name: 1-phenyl-3-(5H-[1,2,4]triazino[5,6-b]indol-3-ylamino)thiourea Openeye Name: 1-phenyl-3-(5H-[1,2,4]triazino[5,6-b]indol-3-ylamino)thiourea CAS Name: 1-phenyl-3-(5H-[1,2,4]triazino[5,6-b]indol-3-ylamino)thiourea IUPAC Name: 1-phenyl-3-(5H-[1,2,4]triazino[5,6-b]indol-3-ylamino)thiourea Traditional Name: 1-phenyl-3-(5H-[1,2,4]triazin[5,6-b]indol-3-ylamino)thiourea Formula: C16H13N7S MolecularWeight: 335.38632

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=S)NNC2=NC3=C(C4=CC=CC=C4N3)N=N2

Isomeric SMILES

C1=CC=C(C=C1)NC(=S)NNC2=NC3=C(C4=CC=CC=C4N3)N=N2

InChI

InChI=1S/C16H13N7S/c24-16(17-10-6-2-1-3-7-10)23-22-15-19-14-13(20-21-15)11-8-4-5-9-12(11)18-14/h1-9H,(H2,17,23,24)(H2,18,19,21,22)