1-[[(E)-phenylazanyl(pyrrol-2-ylidene)methyl]amino]thiourea

Systemtic Name: 1-[[(E)-phenylazanyl(pyrrol-2-ylidene)methyl]amino]thiourea Openeye Name: [[(E)-anilino(pyrrol-2-ylidene)methyl]amino]thiourea CAS Name: [[(E)-anilino(2-pyrrolylidene)methyl]amino]thiourea IUPAC Name: [[(E)-anilino(pyrrol-2-ylidene)methyl]amino]thiourea Traditional Name: [[(E)-anilino(pyrrol-2-ylidene)methyl]amino]thiourea Formula: C12H13N5S MolecularWeight: 259.33012

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=C2C=CC=N2)NNC(=S)N

Isomeric SMILES

C1=CC=C(C=C1)N/C(=C\2/C=CC=N2)/NNC(=S)N

InChI

InChI=1S/C12H13N5S/c13-12(18)17-16-11(10-7-4-8-14-10)15-9-5-2-1-3-6-9/h1-8,15-16H,(H3,13,17,18)/b11-10+