1-[4-(5-chloranyl-3H-1,3-benzoxazol-2-ylidene)-3-oxidanylidene-cyclohexa-1,5-dien-1-yl]thiourea

Systemtic Name: 1-[4-(5-chloranyl-3H-1,3-benzoxazol-2-ylidene)-3-oxidanylidene-cyclohexa-1,5-dien-1-yl]thiourea Openeye Name: [4-(5-chloro-3H-1,3-benzoxazol-2-ylidene)-3-oxo-cyclohexa-1,5-dien-1-yl]thiourea CAS Name: [4-(5-chloro-3H-1,3-benzoxazol-2-ylidene)-3-oxo-1-cyclohexa-1,5-dienyl]thiourea IUPAC Name: [4-(5-chloro-3H-1,3-benzoxazol-2-ylidene)-3-oxocyclohexa-1,5-dien-1-yl]thiourea Traditional Name: [4-(5-chloro-3H-1,3-benzoxazol-2-ylidene)-3-keto-cyclohexa-1,5-dien-1-yl]thiourea Formula: C14H10ClN3O2S MolecularWeight: 319.7661

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C2NC3=C(O2)C=CC(=C3)Cl)C(=O)C=C1NC(=S)N

Isomeric SMILES

C1=CC(=C2NC3=C(O2)C=CC(=C3)Cl)C(=O)C=C1NC(=S)N

InChI

InChI=1S/C14H10ClN3O2S/c15-7-1-4-12-10(5-7)18-13(20-12)9-3-2-8(6-11(9)19)17-14(16)21/h1-6,18H,(H3,16,17,21)