1-[(E)-[(2Z)-4-chloranyl-3-prop-2-enyl-2-thiophen-2-ylsulfonylimino-1,3-thiazol-5-yl]methylideneamino]urea

Systemtic Name: 1-[(E)-[(2Z)-4-chloranyl-3-prop-2-enyl-2-thiophen-2-ylsulfonylimino-1,3-thiazol-5-yl]methylideneamino]urea Openeye Name: [(E)-[(2Z)-3-allyl-4-chloro-2-(2-thienylsulfonylimino)thiazol-5-yl]methyleneamino]urea CAS Name: [(E)-[(2Z)-4-chloro-3-prop-2-enyl-2-thiophen-2-ylsulfonylimino-5-thiazolyl]methylideneamino]urea IUPAC Name: [(E)-[(2Z)-4-chloro-3-prop-2-enyl-2-thiophen-2-ylsulfonylimino-1,3-thiazol-5-yl]methylideneamino]urea Traditional Name: [(E)-[(2Z)-3-allyl-4-chloro-2-(2-thienylsulfonylimino)-4-thiazolin-5-yl]methyleneamino]urea Formula: C12H12ClN5O3S3 MolecularWeight: 405.90338

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=C(SC1=NS(=O)(=O)C2=CC=CS2)C=NNC(=O)N)Cl

Isomeric SMILES

C=CCN\1C(=C(S/C1=N\S(=O)(=O)C2=CC=CS2)/C=N/NC(=O)N)Cl

InChI

InChI=1S/C12H12ClN5O3S3/c1-2-5-18-10(13)8(7-15-16-11(14)19)23-12(18)17-24(20,21)9-4-3-6-22-9/h2-4,6-7H,1,5H2,(H3,14,16,19)/b15-7+,17-12-