1-tert-butyl-3-[(E)-[2-[(4-chlorophenyl)methylsulfanyl]pyrimidin-4-yl]methylideneamino]thiourea

Systemtic Name: 1-tert-butyl-3-[(E)-[2-[(4-chlorophenyl)methylsulfanyl]pyrimidin-4-yl]methylideneamino]thiourea Openeye Name: 1-tert-butyl-3-[(E)-[2-[(4-chlorophenyl)methylsulfanyl]pyrimidin-4-yl]methyleneamino]thiourea CAS Name: 1-tert-butyl-3-[(E)-[2-[(4-chlorophenyl)methylthio]-4-pyrimidinyl]methylideneamino]thiourea IUPAC Name: 1-tert-butyl-3-[(E)-[2-[(4-chlorophenyl)methylsulfanyl]pyrimidin-4-yl]methylideneamino]thiourea Traditional Name: 1-tert-butyl-3-[(E)-[2-[(4-chlorobenzyl)thio]pyrimidin-4-yl]methyleneamino]thiourea Formula: C17H20ClN5S2 MolecularWeight: 393.9572

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=S)NN=CC1=NC(=NC=C1)SCC2=CC=C(C=C2)Cl

Isomeric SMILES

CC(C)(C)NC(=S)N/N=C/C1=NC(=NC=C1)SCC2=CC=C(C=C2)Cl

InChI

InChI=1S/C17H20ClN5S2/c1-17(2,3)22-15(24)23-20-10-14-8-9-19-16(21-14)25-11-12-4-6-13(18)7-5-12/h4-10H,11H2,1-3H3,(H2,22,23,24)/b20-10+