5-bromanyl-3-[(2Z)-2-(4-phenyl-3-prop-2-enyl-1,3-thiazol-2-ylidene)hydrazinyl]indol-2-one hydrate

Systemtic Name: 5-bromanyl-3-[(2Z)-2-(4-phenyl-3-prop-2-enyl-1,3-thiazol-2-ylidene)hydrazinyl]indol-2-one hydrate Openeye Name: 3-[(2Z)-2-(3-allyl-4-phenyl-thiazol-2-ylidene)hydrazino]-5-bromo-indol-2-one hydrate CAS Name: 5-bromo-3-[(2Z)-2-(4-phenyl-3-prop-2-enyl-2-thiazolylidene)hydrazinyl]-2-indolone hydrate IUPAC Name: 5-bromo-3-[(2Z)-2-(4-phenyl-3-prop-2-enyl-1,3-thiazol-2-ylidene)hydrazinyl]indol-2-one hydrate Traditional Name: 3-[(N'Z)-N'-(3-allyl-4-phenyl-4-thiazolin-2-ylidene)hydrazino]-5-bromo-indol-2-one hydrate Formula: C20H17BrN4O2S MolecularWeight: 457.34358

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=CSC1=NNC2=C3C=C(C=CC3=NC2=O)Br)C4=CC=CC=C4.O

Isomeric SMILES

C=CCN\1C(=CS/C1=N\NC2=C3C=C(C=CC3=NC2=O)Br)C4=CC=CC=C4.O

InChI

InChI=1S/C20H15BrN4OS.H2O/c1-2-10-25-17(13-6-4-3-5-7-13)12-27-20(25)24-23-18-15-11-14(21)8-9-16(15)22-19(18)26;/h2-9,11-12H,1,10H2,(H,22,23,26);1H2/b24-20-;