1-[3,5-bis(chloranyl)-4-(4-nitrophenyl)sulfanyl-phenyl]-3-prop-2-enyl-urea

Systemtic Name: 1-[3,5-bis(chloranyl)-4-(4-nitrophenyl)sulfanyl-phenyl]-3-prop-2-enyl-urea Openeye Name: 1-allyl-3-[3,5-dichloro-4-(4-nitrophenyl)sulfanyl-phenyl]urea CAS Name: 1-[3,5-dichloro-4-[(4-nitrophenyl)thio]phenyl]-3-prop-2-enylurea IUPAC Name: 1-[3,5-dichloro-4-(4-nitrophenyl)sulfanylphenyl]-3-prop-2-enylurea Traditional Name: 1-allyl-3-[3,5-dichloro-4-[(4-nitrophenyl)thio]phenyl]urea Formula: C16H13Cl2N3O3S MolecularWeight: 398.26372

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=O)NC1=CC(=C(C(=C1)Cl)SC2=CC=C(C=C2)[N+](=O)[O-])Cl

Isomeric SMILES

C=CCNC(=O)NC1=CC(=C(C(=C1)Cl)SC2=CC=C(C=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C16H13Cl2N3O3S/c1-2-7-19-16(22)20-10-8-13(17)15(14(18)9-10)25-12-5-3-11(4-6-12)21(23)24/h2-6,8-9H,1,7H2,(H2,19,20,22)