1-[[(E)-2-cyano-3-(3-nitrophenyl)prop-2-enoyl]amino]-3-phenyl-thiourea

Systemtic Name: 1-[[(E)-2-cyano-3-(3-nitrophenyl)prop-2-enoyl]amino]-3-phenyl-thiourea Openeye Name: 1-[[(E)-2-cyano-3-(3-nitrophenyl)prop-2-enoyl]amino]-3-phenyl-thiourea CAS Name: 1-[[(E)-2-cyano-3-(3-nitrophenyl)-1-oxoprop-2-enyl]amino]-3-phenylthiourea IUPAC Name: 1-[[(E)-2-cyano-3-(3-nitrophenyl)prop-2-enoyl]amino]-3-phenylthiourea Traditional Name: 1-[[(E)-2-cyano-3-(3-nitrophenyl)acryloyl]amino]-3-phenyl-thiourea Formula: C17H13N5O3S MolecularWeight: 367.38182

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=S)NNC(=O)C(=CC2=CC(=CC=C2)[N+](=O)[O-])C#N

Isomeric SMILES

C1=CC=C(C=C1)NC(=S)NNC(=O)/C(=C/C2=CC(=CC=C2)[N+](=O)[O-])/C#N

InChI

InChI=1S/C17H13N5O3S/c18-11-13(9-12-5-4-8-15(10-12)22(24)25)16(23)20-21-17(26)19-14-6-2-1-3-7-14/h1-10H,(H,20,23)(H2,19,21,26)/b13-9+