[3-nitro-4-[[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]phenyl]-phenyl-methanone

Systemtic Name: [3-nitro-4-[[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]phenyl]-phenyl-methanone Openeye Name: [4-[[5-(allylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-3-nitro-phenyl]-phenyl-methanone CAS Name: [3-nitro-4-[[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]thio]phenyl]-phenylmethanone IUPAC Name: [3-nitro-4-[[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]phenyl]-phenylmethanone Traditional Name: [4-[[5-(allylamino)-1,3,4-thiadiazol-2-yl]thio]-3-nitro-phenyl]-phenyl-methanone Formula: C18H14N4O3S2 MolecularWeight: 398.45876

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC1=NN=C(S1)SC2=C(C=C(C=C2)C(=O)C3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C=CCNC1=NN=C(S1)SC2=C(C=C(C=C2)C(=O)C3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H14N4O3S2/c1-2-10-19-17-20-21-18(27-17)26-15-9-8-13(11-14(15)22(24)25)16(23)12-6-4-3-5-7-12/h2-9,11H,1,10H2,(H,19,20)