4-methylbenzenesulfonic acid; (1E)-1-[(Z)-3-phenylprop-2-enylidene]thiourea

Systemtic Name: 4-methylbenzenesulfonic acid; (1E)-1-[(Z)-3-phenylprop-2-enylidene]thiourea Openeye Name: 4-methylbenzenesulfonic acid; (E)-[(Z)-3-phenylprop-2-enylidene]thiourea CAS Name: 4-methylbenzenesulfonic acid; (E)-[(Z)-3-phenylprop-2-enylidene]thiourea IUPAC Name: 4-methylbenzenesulfonic acid; (E)-[(Z)-3-phenylprop-2-enylidene]thiourea Traditional Name: (E)-[(Z)-3-phenylprop-2-enylidene]thiourea; tosylic acid Formula: C17H18N2O3S2 MolecularWeight: 362.46642

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.C1=CC=C(C=C1)C=CC=NC(=S)N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.C1=CC=C(C=C1)/C=C\C=N\C(=S)N

InChI

InChI=1S/C10H10N2S.C7H8O3S/c11-10(13)12-8-4-7-9-5-2-1-3-6-9;1-6-2-4-7(5-3-6)11(8,9)10/h1-8H,(H2,11,13);2-5H,1H3,(H,8,9,10)/b7-4-,12-8+;