N-(3-nitrophenyl)-2-[[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide

Systemtic Name: N-(3-nitrophenyl)-2-[[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide Openeye Name: 2-[[5-(allylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(3-nitrophenyl)propanamide CAS Name: N-(3-nitrophenyl)-2-[[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]thio]propanamide IUPAC Name: N-(3-nitrophenyl)-2-[[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide Traditional Name: 2-[[5-(allylamino)-1,3,4-thiadiazol-2-yl]thio]-N-(3-nitrophenyl)propionamide Formula: C14H15N5O3S2 MolecularWeight: 365.4306

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=CC=C1)[N+](=O)[O-])SC2=NN=C(S2)NCC=C

Isomeric SMILES

CC(C(=O)NC1=CC(=CC=C1)[N+](=O)[O-])SC2=NN=C(S2)NCC=C

InChI

InChI=1S/C14H15N5O3S2/c1-3-7-15-13-17-18-14(24-13)23-9(2)12(20)16-10-5-4-6-11(8-10)19(21)22/h3-6,8-9H,1,7H2,2H3,(H,15,17)(H,16,20)