1-(1-chloroethyl)-1-(1-methoxy-3-oxidanylidene-propan-2-yl)-3-(5-prop-2-ynyl-1,3,4-thiadiazol-2-yl)urea

Systemtic Name: 1-(1-chloroethyl)-1-(1-methoxy-3-oxidanylidene-propan-2-yl)-3-(5-prop-2-ynyl-1,3,4-thiadiazol-2-yl)urea Openeye Name: 1-(1-chloroethyl)-1-(1-formyl-2-methoxy-ethyl)-3-(5-prop-2-ynyl-1,3,4-thiadiazol-2-yl)urea CAS Name: 1-(1-chloroethyl)-1-(1-methoxy-3-oxopropan-2-yl)-3-(5-prop-2-ynyl-1,3,4-thiadiazol-2-yl)urea IUPAC Name: 1-(1-chloroethyl)-1-(1-methoxy-3-oxopropan-2-yl)-3-(5-prop-2-ynyl-1,3,4-thiadiazol-2-yl)urea Traditional Name: 1-(1-chloroethyl)-1-(1-formyl-2-methoxy-ethyl)-3-(5-propargyl-1,3,4-thiadiazol-2-yl)urea Formula: C12H15ClN4O3S MolecularWeight: 330.7905

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Descriptors Computed from Structure

Canonical SMILES:

CC(N(C(COC)C=O)C(=O)NC1=NN=C(S1)CC#C)Cl

Isomeric SMILES

CC(N(C(COC)C=O)C(=O)NC1=NN=C(S1)CC#C)Cl

InChI

InChI=1S/C12H15ClN4O3S/c1-4-5-10-15-16-11(21-10)14-12(19)17(8(2)13)9(6-18)7-20-3/h1,6,8-9H,5,7H2,2-3H3,(H,14,16,19)